Gaussian 16 6-Apr-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 120 120 240 (5D, 7F) VSTO-6G 174 C1[X(C60)] RZINDO CIS STO-3G SP #p zindo(singlets,root=1,nstates=250) pop=full scrf=(pcm,solvent=EthylEthanoate) 720.6420000000003 0 1 AuxInfo=1/0/N:1,2,12,3,6,13,4,10,35,11,33,9,7,16,27,19,5,14,34,20,8,15,54,55,25,17,38,21,36,18,59,50,53,49,26,28,39,24,37,22,58,51,56,52,30,29,40,23,57,45,60,48,31,32,43,46,44,42,47,41/E:(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3/rA:60nC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3/rB:s1;s1;s2;s4;s2;s6;s5s7;;s9;s3s9;s1s10;s6s12;s10;s14;s13s15;;s17;s11s17;s9s18;s14s20;s18;s22;s21s23;;s25;s19s25;s17s26;s22s28;s26;s30;s29s31;s4;s33;s3s27s33;s25s34;s30s36;s5s34;s38;s37s39;;s31s41;s40s42;s41;;s23s45;s32s41s46;s44s45;;s15s49;s24s45s50;s48s49;;s7s53;s16s49s54;s52s53;s43;s39s57;s8s53s58;s44s56s57;/rC:90,6470,129,1870,67,3670;90,6670,128,6970,68,7170;91,2770,130,3970,67,0570;91,3970,129,3370,69,7070;90,8770,129,4770,71,0870;89,3970,128,0770,69,0270;88,8670,128,2770,70,2870;89,6370,128,9370,71,3470;89,3870,131,1070,65,6670;88,7070,129,8570,66,0470;90,6370,131,3670,66,1770;89,3270,128,9170,66,8470;88,5370,128,2270,67,8570;87,3070,130,1670,66,2170;86,5570,129,5470,67,2070;87,2170,128,5470,68,0370;90,0370,133,6970,66,6670;88,7070,133,4270,66,1170;90,9970,132,6970,66,6670;88,4070,132,1770,65,6570;87,1070,131,5870,65,9870;87,7270,134,1970,66,8870;86,4770,133,6470,67,2070;86,1670,132,3170,66,6970;91,6870,133,3770,68,9170;90,7170,134,4670,68,8570;91,8370,132,5170,67,8470;89,9070,134,6170,67,7570;88,4670,134,9670,67,8770;90,2070,134,6370,70,2070;88,8470,134,8770,70,2970;87,9570,135,0070,69,1670;92,0070,130,6070,69,3970;91,9370,131,4970,70,5070;91,9870,131,0970,68,1170;91,7370,132,8270,70,2470;90,8370,133,6170,71,0670;91,1470,130,8370,71,5370;90,2670,131,5670,72,3070;90,0570,132,9670,71,9970;86,7470,133,9470,70,9070;88,0870,134,2170,71,3770;88,6570,133,2770,72,2270;86,0870,132,7670,71,2470;85,3270,132,4970,68,9270;85,9270,133,7870,68,5770;86,6670,134,4270,69,5270;85,3270,132,0370,70,2370;85,6870,129,7770,69,3870;85,5870,130,2670,67,9970;85,4570,131,6070,67,7870;85,4870,130,6170,70,4770;87,3170,129,4270,71,6470;87,4670,128,5770,70,4670;86,6570,128,7070,69,3870;86,3570,130,4570,71,6470;88,0070,132,0470,72,5870;88,9770,130,9570,72,5670;88,6870,129,6870,72,1470;86,7370,131,7870,72,1070; g16 /home/programes/qq/gaussian/g16.A03/g16/l1.exe "/scratch/66865/Gau-1966.inp" -scrdir="/scratch/66865/" chk=c60.chk mem=64000MB #p zindo(singlets,root=1,nstates=250) pop=full scrf=(pcm,solvent=Ethyl 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=2,25=1,41=400000,70=2201,72=118/1,2,3,8 4/5=3,35=1/1 5/5=2,35=1,38=5,53=118/2 8/6=1,107=1,108=250/1 9/8=1,41=250,42=1,48=1,49=10/14 6/7=3/1 99/5=1,9=1/99 C1M 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /home/programes/qq/gaussian/g16.A03/g16/l101.exe) 0.10000e-02 0.10000e-05 F 240 A 240 A 1440 240 3710.0315411149 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Generate ZINDO/S integrals. NDO Nuclear repulsion= 3069.384194017814 Hartrees. NBasis= 240 RedAO= F EigKep= 0.00D+00 NBF= 240 NBsUse= 240 1.00D-04 EigRej= 0.00D+00 NBFU= 240 C60 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 720.6420000000003 AuxInfo=1/0/N:1,2,12,3,6,13,4,10,35,11,33,9,7,16,27,19,5,14,34,20,8,15,54,55,25,17,38,21,36,18,59,50,53,49,26,28,39,24,37,22,58,51,56,52,30,29,40,23,57,45,60,48,31,32,43,46,44,42,47,41/E:(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3/rA:60nC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3/rB:s1;s1;s2;s4;s2;s6;s5s7;;s9;s3s9;s1s10;s6s12;s10;s14;s13s15;;s17;s11s17;s9s18;s14s20;s18;s22;s21s23;;s25;s19s25;s17s26;s22s28;s26;s30;s29s31;s4;s33;s3s27s33;s25s34;s30s36;s5s34;s38;s37s39;;s31s41;s40s42;s41;;s23s45;s32s41s46;s44s45;;s15s49;s24s45s50;s48s49;;s7s53;s16s49s54;s52s53;s43;s39s57;s8s53s58;s44s56s57;/rC:-,6542,-3,4923,-,1716;-1,9084,-2,9423,,2613;,4610,-3,4279,,6706;-2,0755,-2,4480,1,5459;-2,8711,-1,2267,1,8103;-2,5752,-2,3144,-,8587;-3,2469,-1,1284,-,6330;-3,4448,-,6054,,7233;1,9149,-2,7632,-1,1876;,7238,-2,7760,-2,0538;1,7728,-3,0703,,1450;-,5128,-3,1544,-1,5685;-1,6926,-2,4276,-2,0160;,8522,-1,6697,-2,9729;-,2617,-,9426,-3,3697;-1,5635,-1,3582,-2,8626;3,2156,-1,1980,,8097;3,3766,-,8722,-,6089;2,4560,-2,2965,1,1809;2,7340,-1,6221,-1,5516;2,0769,-,9484,-2,6746;3,4583,,5847,-,7387;2,8379,1,2432,-1,8105;2,1675,,4273,-2,8155;1,4945,-,9943,3,0196;2,3614,,1208,2,6488;1,5443,-2,1809,2,3148;3,1980,,0199,1,5632;3,3895,1,1408,,6054;1,6081,1,3336,2,9194;1,7358,2,3309,1,9684;2,5772,2,2494,,7974;-,9149,-2,3403,2,3959;-,9685,-1,1620,3,1945;,2935,-2,8479,1,9947;,2078,-,5058,3,4436;,2716,,9438,3,4082;-2,1387,-,4075,2,7680;-2,0876,,9685,2,7022;-,8256,1,6370,2,9484;,6414,3,4779,,1982;,5327,3,0976,1,5885;-,7365,2,7796,2,0565;-,4707,3,4653,-,6425;,8469,2,3766,-2,4065;2,0489,2,4765,-1,5747;1,9080,2,9406,-,3001;-,3584,2,9300,-1,9958;-1,5117,1,0205,-2,9875;-,2310,,4944,-3,5023;,9199,1,1440,-3,1707;-1,5895,2,2388,-2,3215;-3,2620,1,2266,-,8009;-3,1326,-,0213,-1,5515;-2,3242,-,1206,-2,6359;-2,4797,2,3408,-1,1602;-1,8995,2,7470,1,2130;-2,7140,1,5834,1,5476;-3,3980,,8413,,6230;-1,7769,3,0843,-,1219; 0.0843686 0.0839803 0.0835696 1 Closed 1 1 1 -334.899431916871 -336.180589798578 -1.281157881708 -336.264701530719 -0.084111732141 -336.266542596690 -0.001841065971 -336.266788843853 -0.000246247163 -336.266883159748 -0.000094315895 -336.266894337957 -0.000011178209 -336.266895512762 -0.000001174805 -336.266895950942 -0.000000438180 -336.266895997761 -0.000000046819 -336.266896005895 -0.000000008135 -336.266896006881 -0.000000000985 -336.266896007016 -0.000000000135 -336.266896007071 -0.000000000055 -336.266896007083 -0.000000000011 -336.266896007 15 -6.623132095211e+03 1.532744136057e-07 3.217481005032e+03 Using DIIS extrapolation, IDIIS= 1040. Overlap will be assumed to be unity. NGot= 8388608000 LenX= 8388482008 LenY= 8388423967 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 2.1228 584.06 0.0011 0.000 118 122 0.11666 119 121 -0.11028 120 121 -0.20614 120 122 0.59280 -336.188883923 2 Singlet-A 2.1901 566.11 0.0018 0.000 116 121 -0.11381 117 121 -0.27223 118 121 -0.18557 119 121 0.39150 119 123 -0.12167 120 121 0.28951 120 122 0.20997 3 Singlet-A 2.2316 555.59 0.0007 0.000 116 123 0.10876 117 121 -0.22135 117 122 -0.24473 117 123 -0.17286 118 121 0.10161 118 123 0.24977 119 121 -0.24991 119 122 -0.15799 120 121 0.25275 120 123 -0.18140 4 Singlet-A 2.2466 551.88 0.0002 0.000 115 125 0.11847 116 123 0.10930 117 121 -0.22673 118 121 0.22253 118 123 -0.12778 119 123 -0.19691 120 122 -0.11537 120 123 0.47337 5 Singlet-A 2.2944 540.38 0.0014 0.000 116 121 0.34252 116 122 -0.10780 116 123 0.27792 117 123 -0.12678 118 121 -0.25085 118 122 0.23980 118 123 -0.15812 120 121 -0.14010 120 122 -0.11734 6 Singlet-A 2.3066 537.53 0.0004 0.000 116 121 0.31453 116 122 0.13984 116 123 -0.18703 117 123 -0.10070 118 121 0.18505 118 122 0.14638 118 123 0.11765 119 121 0.12533 119 122 0.33650 120 121 0.23588 7 Singlet-A 2.3286 532.45 0.0011 0.000 116 122 0.42586 117 121 -0.22460 117 122 -0.13832 118 121 0.12775 118 122 0.14367 119 121 0.20106 119 122 -0.12141 120 121 -0.25395 120 123 -0.14589 8 Singlet-A 2.3757 521.87 0.0000 0.000 116 121 -0.24554 117 122 0.22280 118 121 -0.25061 118 122 0.33345 118 123 0.29410 119 121 -0.14948 120 123 0.15106 9 Singlet-A 2.3841 520.05 0.0014 0.000 116 121 -0.19300 116 122 -0.13803 117 121 -0.20448 117 122 0.10818 118 121 0.21347 119 122 0.24151 119 123 0.45636 10 Singlet-A 2.4136 513.69 0.0062 0.000 116 121 0.13089 117 122 -0.28174 117 123 0.48455 118 121 -0.12346 118 123 0.18390 119 122 0.12907 119 123 0.12100 11 Singlet-A 2.5724 481.97 0.0015 0.000 116 122 0.33388 116 123 0.14472 117 121 0.16033 118 122 0.10306 118 123 -0.27108 119 121 -0.12427 119 123 0.20339 120 121 0.33278 12 Singlet-A 2.5979 477.25 0.0026 0.000 116 123 0.10710 117 121 0.30048 118 121 0.10783 118 122 0.11761 118 123 0.19800 119 121 0.30873 119 122 -0.24981 119 123 0.17087 120 123 0.18305 13 Singlet-A 2.6413 469.41 0.0002 0.000 116 122 -0.12966 116 123 0.18228 117 121 0.10907 117 122 0.17644 117 123 0.26680 118 121 0.28776 118 122 0.23476 119 123 -0.18024 120 123 -0.26392 14 Singlet-A 2.6536 467.24 0.0007 0.000 116 121 0.22521 116 122 0.13731 117 121 -0.12128 117 122 0.38035 117 123 0.15043 118 122 -0.22279 118 123 0.18446 119 122 -0.22196 119 123 0.15579 15 Singlet-A 2.6799 462.65 0.0043 0.000 116 122 0.11493 116 123 0.41035 118 122 -0.22484 118 123 0.16461 118 124 -0.12651 119 122 0.25672 120 124 0.13621 16 Singlet-A 2.7078 457.88 0.0079 0.000 109 121 0.10619 111 122 0.10628 113 123 -0.10975 114 121 0.13344 115 122 -0.21021 115 123 0.10167 116 126 -0.11867 117 122 -0.10400 117 124 -0.11985 118 124 -0.15534 118 125 0.10016 120 124 0.17644 120 125 0.36493 120 127 -0.13106 17 Singlet-A 2.7731 447.09 0.0008 0.000 107 122 0.12329 108 121 0.12538 111 121 0.16367 112 122 -0.10923 114 123 0.12753 115 121 0.15042 116 123 0.10203 116 124 0.33275 116 125 -0.11179 117 126 0.19988 118 125 0.12256 119 125 -0.17020 120 130 0.10472 18 Singlet-A 2.7914 444.16 0.0019 0.000 108 122 -0.12175 109 121 -0.13133 112 121 -0.13359 113 123 0.13131 116 123 0.16418 116 126 -0.10065 117 124 -0.10565 117 125 -0.15492 118 124 0.23831 119 126 0.23043 119 127 -0.10069 19 Singlet-A 2.8857 429.65 0.0004 0.000 109 122 -0.11346 110 121 0.12486 112 121 -0.11699 114 122 -0.18419 119 124 0.29169 120 124 0.28733 120 126 -0.26854 20 Singlet-A 2.9235 424.10 0.0044 0.000 110 121 0.19236 112 123 0.13094 114 122 0.16021 114 123 0.12704 116 124 -0.15340 117 126 0.14293 117 131 -0.11590 118 124 -0.21256 118 128 0.10166 119 124 0.27565 119 125 -0.14201 120 126 0.20310 21 Singlet-A 2.9415 421.50 0.0050 0.000 110 122 -0.20335 113 121 -0.11443 115 122 -0.11590 116 126 0.11619 117 124 -0.12891 118 124 0.17586 120 124 0.30379 120 125 -0.15513 120 126 0.23250 120 127 -0.11049 120 133 0.10811 22 Singlet-A 2.9642 418.28 0.0025 0.000 108 123 -0.11827 109 123 0.15484 113 122 0.12422 114 121 -0.10195 115 123 0.14805 116 125 0.10397 117 125 0.19624 118 124 0.20682 118 125 -0.19169 119 124 0.18169 119 126 -0.11745 120 127 -0.16589 120 132 -0.14287 23 Singlet-A 2.9804 416.00 0.0103 0.000 107 121 0.12639 110 123 0.14201 112 121 0.12374 113 122 0.16430 115 123 -0.15340 116 126 -0.14122 117 124 0.32645 118 125 0.26475 24 Singlet-A 3.0008 413.17 0.0027 0.000 107 121 0.11728 107 122 -0.11559 107 123 0.10259 108 121 0.14287 108 122 -0.12143 111 123 0.12630 116 125 -0.20129 116 130 -0.13004 117 125 0.27376 117 126 -0.10111 118 125 0.15962 118 126 -0.18787 119 125 -0.17131 25 Singlet-A 3.0224 410.22 0.0035 0.000 108 121 -0.11279 108 123 0.10334 109 123 0.17556 111 121 0.10696 115 123 -0.13292 116 124 0.10178 116 125 -0.15178 117 130 0.10497 118 126 -0.23999 119 125 0.29428 119 126 -0.10138 119 130 -0.11221 120 126 0.10393 120 133 -0.10261 26 Singlet-A 3.0380 408.11 0.0008 0.000 107 123 0.10731 108 121 -0.15979 108 123 -0.12573 109 122 0.12200 115 121 -0.12724 116 124 -0.13592 116 125 -0.16857 117 125 0.14515 117 126 0.30360 118 125 -0.12628 118 132 -0.13176 119 126 0.15020 27 Singlet-A 3.0563 405.67 0.0026 0.000 107 121 0.12230 107 122 0.17669 107 123 -0.13024 111 123 0.11473 116 124 0.12308 116 125 0.24322 116 126 0.11185 116 130 -0.10482 116 132 -0.12942 117 125 0.20638 117 130 -0.12649 119 125 0.13561 119 126 0.19911 28 Singlet-A 3.1674 391.44 0.0069 0.000 114 121 0.15279 116 126 0.10079 117 124 0.20738 118 126 -0.10345 119 128 0.12109 119 131 0.14970 120 124 0.10686 120 125 0.14458 120 126 0.15660 120 127 0.19712 120 132 0.19112 29 Singlet-A 3.1771 390.25 0.0095 0.000 116 125 -0.11187 117 127 0.21505 117 130 -0.12283 118 126 0.17422 119 127 -0.15498 119 131 0.13753 120 127 -0.17451 120 128 -0.11636 30 Singlet-A 3.2093 386.33 0.0043 0.000 107 122 0.10133 108 123 0.15748 113 122 -0.10645 116 126 0.13484 117 127 0.13955 117 132 0.21333 118 130 0.14021 118 133 0.11688 119 126 -0.10429 120 128 0.16947 120 129 0.13421 120 130 0.12782 31 Singlet-A 3.2356 383.19 0.0097 0.000 112 123 -0.13343 116 131 -0.18761 116 133 0.12698 118 125 -0.12649 119 126 0.16028 119 130 -0.11355 119 132 -0.11848 120 128 -0.16915 120 130 0.22047 120 133 -0.18767 32 Singlet-A 3.2412 382.53 0.0065 0.000 107 121 -0.10341 110 122 0.10550 112 123 -0.10072 113 121 -0.15176 116 128 0.16259 116 131 0.15145 117 130 0.10825 117 133 0.12691 119 130 0.16709 119 132 0.13413 120 130 0.13512 120 132 0.14277 120 133 -0.12584 33 Singlet-A 3.2623 380.05 0.0166 0.000 109 122 -0.11585 114 122 0.10898 116 134 0.11736 117 133 -0.15055 118 126 0.17689 120 125 0.12134 120 126 0.16487 120 127 0.22823 120 130 0.15476 120 132 -0.21379 34 Singlet-A 3.2809 377.89 0.0132 0.000 111 122 0.14864 116 126 -0.20379 117 124 -0.11618 117 130 -0.13694 118 128 0.12342 118 134 0.19427 119 126 -0.10339 119 132 -0.10024 120 127 0.26432 120 129 0.13928 120 130 0.11186 35 Singlet-A 3.2944 376.35 0.0143 0.000 110 122 0.10127 116 129 0.11250 117 132 -0.11124 118 127 0.20554 118 134 -0.11007 119 127 -0.15023 120 124 0.13315 120 127 0.15950 120 128 0.15641 120 129 0.11693 120 130 0.15622 120 134 -0.18197 36 Singlet-A 3.3455 370.60 0.0073 0.000 117 133 -0.11757 118 127 -0.18808 118 130 -0.13525 119 128 0.13291 120 126 -0.11654 120 127 -0.14434 120 128 0.17373 120 129 0.36468 120 133 -0.12757 37 Singlet-A 3.3657 368.38 0.0201 0.000 116 128 0.11561 117 127 -0.13745 117 128 0.13766 118 127 -0.18309 118 128 0.13836 119 126 0.10836 119 127 0.20427 119 129 -0.13601 119 133 -0.10848 119 134 -0.10774 120 129 0.10348 120 133 0.16200 38 Singlet-A 3.3785 366.98 0.0068 0.000 116 129 -0.10255 117 127 0.11719 117 128 -0.10132 118 127 0.12066 119 124 0.10232 119 126 0.20144 119 127 0.34749 120 128 0.16333 120 131 -0.14190 39 Singlet-A 3.3983 364.84 0.0207 0.000 116 125 0.11587 116 126 0.23012 116 127 0.30455 116 128 -0.28103 117 127 -0.20100 40 Singlet-A 3.4018 364.47 0.0005 0.000 118 127 0.14844 118 128 -0.16782 119 128 -0.19034 119 131 0.10710 120 128 -0.31098 120 129 0.34712 41 Singlet-A 3.4266 361.82 0.0181 0.000 116 127 0.11871 117 126 0.14868 117 127 0.32222 117 128 -0.13990 117 130 0.12371 118 128 0.10633 118 129 -0.20555 119 131 -0.11331 120 128 -0.14572 120 129 0.11435 42 Singlet-A 3.4452 359.87 0.0094 0.000 116 124 0.10304 116 127 0.21519 116 128 0.17332 116 130 0.11686 117 129 -0.10856 118 125 -0.10604 118 126 -0.10922 118 128 0.21041 118 129 0.19502 119 127 -0.12575 119 128 -0.19083 119 130 -0.10363 119 131 0.10124 43 Singlet-A 3.4506 359.32 0.0095 0.000 116 127 0.21006 117 128 0.19575 117 129 0.22746 118 127 -0.13443 118 128 -0.16369 118 134 0.13711 119 128 -0.21494 120 129 -0.10134 44 Singlet-A 3.4599 358.35 0.0086 0.000 116 127 0.16915 116 128 0.14636 117 124 0.11421 117 128 0.19826 118 127 0.27288 118 130 0.10590 118 131 -0.12101 119 127 0.12279 119 128 0.11270 119 129 0.19650 45 Singlet-A 3.4732 356.98 0.0015 0.000 116 129 0.23684 116 130 -0.12147 117 128 -0.16829 117 129 0.18651 118 129 0.15166 119 129 0.30716 119 130 0.10663 120 134 0.14433 46 Singlet-A 3.4896 355.30 0.0093 0.000 116 128 -0.19981 116 129 0.20158 116 131 0.10299 117 129 -0.10860 117 131 -0.10008 118 128 0.25434 118 129 -0.20368 118 131 -0.10291 119 128 -0.13522 47 Singlet-A 3.5522 349.04 0.0056 0.000 116 129 -0.26967 117 127 -0.11891 117 128 -0.17303 117 129 0.34726 118 128 0.14083 118 129 -0.10815 119 128 -0.10639 120 131 0.11261 48 Singlet-A 3.5613 348.14 0.0247 0.000 116 127 0.12595 116 129 0.29706 117 128 -0.10393 117 129 0.16013 117 132 0.12963 118 128 -0.14277 118 130 -0.10697 119 129 -0.26875 120 131 0.11090 120 132 0.14160 49 Singlet-A 3.5684 347.45 0.0148 0.000 114 123 0.12389 116 130 -0.13402 117 125 -0.14891 118 130 0.15042 118 131 -0.15198 119 125 0.20817 119 130 0.24691 120 127 -0.12083 120 130 0.16422 120 133 0.10440 120 134 -0.14004 50 Singlet-A 3.5775 346.56 0.0092 0.000 116 130 0.15114 117 128 0.11342 117 132 0.14836 117 133 -0.10272 118 129 0.21112 119 130 0.11888 119 131 -0.19255 120 124 0.15530 120 128 -0.15999 120 133 -0.16066 120 134 -0.19853 51 Singlet-A 3.5893 345.43 0.0203 0.000 115 121 0.24437 116 128 -0.14882 116 131 0.10588 117 127 0.10323 117 128 0.15441 117 131 0.15604 118 129 0.12964 118 130 -0.12306 120 131 0.32172 52 Singlet-A 3.5976 344.63 0.0187 0.000 116 130 0.11081 117 129 -0.22341 117 131 -0.15789 118 129 -0.19734 118 130 -0.16140 118 131 0.10896 118 133 0.10809 119 129 0.27946 119 132 -0.10236 120 131 0.11377 120 132 0.10748 53 Singlet-A 3.6141 343.05 0.0126 0.000 113 121 -0.11240 116 129 0.17598 116 130 0.21894 116 131 -0.14023 116 133 0.10539 118 124 -0.14280 118 132 -0.13116 119 130 0.20002 119 133 0.10966 120 128 0.10906 120 130 -0.18826 120 132 -0.20810 120 133 -0.11238 54 Singlet-A 3.6308 341.48 0.0295 0.000 116 130 -0.15054 117 130 -0.15906 117 131 0.19879 118 129 -0.17557 118 130 0.12984 119 124 0.11769 119 128 -0.12646 119 131 0.11413 119 133 -0.16003 120 126 0.13427 120 130 -0.13146 120 133 -0.16894 55 Singlet-A 3.6333 341.24 0.0221 0.000 116 130 -0.11733 117 125 0.10315 117 128 0.17686 118 125 -0.14086 118 131 0.18543 119 128 -0.17292 119 130 0.14162 119 131 -0.16232 119 132 -0.13450 120 125 0.10519 120 132 0.15277 120 134 0.22655 56 Singlet-A 3.6599 338.77 0.0423 0.000 116 130 0.26080 116 132 0.14694 117 125 0.20507 117 132 -0.17259 118 130 0.20694 118 132 0.18038 118 133 -0.14582 119 133 -0.11466 120 132 0.14822 57 Singlet-A 3.6645 338.34 0.0111 0.000 113 121 -0.14855 114 122 0.12946 115 121 -0.16444 116 128 -0.11789 116 130 -0.13800 116 132 -0.11231 117 130 0.21925 117 133 -0.12422 118 129 0.14495 118 131 0.12926 118 132 0.12149 119 130 0.10458 119 131 0.22040 120 126 -0.11861 120 130 -0.12657 58 Singlet-A 3.6865 336.32 0.0112 0.000 116 124 -0.12671 116 125 -0.11548 116 132 -0.11838 117 126 0.10335 117 129 0.10462 117 130 -0.10604 117 131 -0.18919 118 128 -0.10525 118 131 -0.17891 118 132 0.28510 119 129 -0.10860 119 132 -0.14162 120 134 0.11585 59 Singlet-A 3.6913 335.88 0.0039 0.000 116 124 -0.11150 117 131 0.33807 118 130 -0.13225 118 131 -0.14245 118 132 0.16244 118 133 0.19454 119 133 0.14392 120 131 -0.12301 120 133 0.14057 60 Singlet-A 3.7017 334.94 0.0395 0.000 112 122 0.17692 115 121 0.16425 116 132 0.13124 116 133 -0.12302 116 134 -0.10241 117 126 0.16996 117 130 0.21936 117 133 0.11036 118 130 -0.10888 119 132 -0.17907 119 133 -0.21101 61 Singlet-A 3.7299 332.40 0.0541 0.000 108 122 -0.12660 116 133 -0.16433 117 125 -0.12269 118 133 -0.16039 119 132 -0.12800 119 133 0.25901 119 134 -0.10349 120 140 0.10809 62 Singlet-A 3.7371 331.77 0.0975 0.000 113 122 0.27780 115 123 0.11961 116 132 -0.12323 116 133 -0.20841 117 132 -0.16403 117 133 0.18277 117 134 0.19197 119 134 -0.15070 63 Singlet-A 3.7554 330.15 0.0207 0.000 112 122 -0.16971 113 121 0.16524 114 122 -0.15594 114 123 -0.12155 116 132 0.26909 116 133 -0.13335 118 132 0.12488 118 133 0.11728 118 134 0.16514 119 132 0.11061 119 134 -0.20581 64 Singlet-A 3.7701 328.86 0.0382 0.000 111 123 -0.20825 116 131 0.17305 116 132 0.15543 116 133 0.22767 117 132 0.11129 117 134 0.15863 119 132 -0.15582 119 133 0.10322 120 134 -0.18503 120 141 0.13251 65 Singlet-A 3.7754 328.40 0.0623 0.000 110 123 0.10802 112 121 0.12621 115 122 0.11161 116 131 0.19571 117 132 -0.12689 117 134 -0.11319 118 132 -0.10138 118 133 0.26621 119 126 0.10841 119 131 0.11734 119 132 -0.15364 120 135 0.11301 66 Singlet-A 3.8017 326.13 0.4110 0.000 116 134 0.30710 118 126 -0.13331 118 140 0.14392 119 135 -0.12251 120 125 -0.12616 120 133 0.13386 120 136 0.13837 120 140 0.13016 120 141 -0.13922 67 Singlet-A 3.8166 324.85 0.2026 0.000 116 131 -0.10965 116 134 0.23148 117 131 -0.10215 117 133 0.11025 117 134 -0.22477 117 135 -0.10874 118 124 0.11690 119 135 0.11631 120 130 -0.11550 120 137 -0.10017 68 Singlet-A 3.8272 323.96 0.3021 0.000 111 123 -0.13140 115 121 0.10316 117 133 0.10463 117 134 0.18797 117 135 -0.18090 117 139 0.10880 118 132 0.11030 118 135 -0.13737 119 135 0.17158 120 138 0.10346 120 141 -0.11277 69 Singlet-A 3.8384 323.01 0.6268 0.000 116 125 0.14326 117 126 0.11635 117 132 -0.10741 118 124 0.11564 118 131 0.10841 119 124 -0.12015 119 127 0.10564 119 136 -0.12866 119 138 -0.16399 120 138 0.21480 120 140 -0.11209 70 Singlet-A 3.8468 322.31 0.5352 0.000 114 123 0.13518 115 121 -0.10851 116 126 0.11178 116 139 0.12587 117 124 0.17348 117 133 0.14825 119 134 0.22539 120 125 0.11142 120 132 -0.10129 120 135 -0.11742 71 Singlet-A 3.8500 322.03 0.2086 0.000 114 140 -0.12021 115 121 -0.14566 118 136 0.13147 120 135 0.13690 120 136 0.30644 120 137 0.15879 120 140 0.10067 72 Singlet-A 3.8629 320.96 0.0030 0.000 115 121 -0.19819 117 135 -0.12831 119 135 0.16667 120 131 0.10521 120 135 -0.16222 120 136 -0.13585 120 137 0.14336 120 138 0.22470 120 140 0.12659 73 Singlet-A 3.8718 320.22 0.4143 0.000 114 123 0.11140 117 124 -0.10407 117 135 0.11513 117 136 -0.11498 118 134 -0.12201 119 135 -0.12614 120 138 0.23249 74 Singlet-A 3.8911 318.63 0.2504 0.000 115 121 0.18438 116 125 -0.11273 116 135 -0.17373 118 130 0.12259 118 135 0.12282 120 131 -0.10558 120 135 -0.16146 75 Singlet-A 3.8930 318.48 0.3235 0.000 112 122 -0.10566 114 123 -0.11708 115 121 -0.11082 116 135 -0.10845 117 130 0.13318 118 134 0.19976 119 137 -0.12656 120 133 0.10268 120 135 0.11057 76 Singlet-A 3.9059 317.43 0.3426 0.000 113 121 -0.15612 114 136 0.10026 116 139 0.13540 117 134 -0.10795 118 137 -0.11435 119 124 0.10178 119 137 0.20129 120 137 0.16189 120 140 -0.11653 77 Singlet-A 3.9181 316.44 0.1374 0.000 114 121 -0.10986 117 137 0.26726 118 137 -0.16263 119 138 -0.10034 120 135 -0.10393 120 137 -0.11199 120 141 -0.11537 78 Singlet-A 3.9203 316.26 0.2648 0.000 114 123 -0.10804 115 121 0.12500 116 135 0.16955 118 135 -0.16512 118 140 0.10166 119 132 -0.10261 119 136 0.10016 120 125 0.10061 120 131 -0.12994 120 138 0.11365 120 139 0.11494 120 140 0.13070 79 Singlet-A 3.9313 315.38 0.0515 0.000 114 121 0.14401 114 123 -0.10964 115 121 -0.13263 116 135 0.15636 116 136 -0.10752 116 137 0.12821 116 139 0.14589 117 136 -0.14415 118 131 -0.12521 119 136 -0.12701 80 Singlet-A 3.9438 314.37 0.0509 0.000 115 122 -0.17910 118 137 -0.11286 119 140 -0.11520 120 137 -0.17429 120 138 -0.13641 120 143 0.19223 120 145 -0.11358 81 Singlet-A 3.9541 313.56 0.0190 0.000 113 121 0.13056 116 132 -0.10532 116 136 -0.11652 117 136 0.20388 117 138 0.10715 118 136 -0.11183 118 138 -0.11676 119 136 0.18621 120 144 -0.12495 82 Singlet-A 3.9659 312.62 0.0376 0.000 114 121 -0.10209 115 121 -0.10470 115 122 0.11774 117 136 0.10755 117 138 -0.10290 118 131 -0.10960 118 133 -0.11265 118 136 -0.10250 119 136 0.10252 119 140 0.13864 120 134 0.10585 120 149 0.13326 83 Singlet-A 3.9669 312.55 0.0341 0.000 113 121 0.16725 116 132 -0.13538 116 139 0.10176 116 140 0.13654 117 137 0.11520 117 138 -0.10196 117 140 -0.10636 118 138 0.11068 120 137 0.15204 120 138 -0.10325 120 147 -0.10796 84 Singlet-A 3.9763 311.81 0.0723 0.000 113 123 -0.11346 114 121 -0.11860 115 122 -0.14902 115 123 0.17361 117 125 -0.11374 117 133 -0.10202 117 135 0.11085 118 137 0.11138 119 133 -0.11487 120 139 -0.13747 85 Singlet-A 3.9808 311.45 0.0240 0.000 115 122 0.21122 116 135 0.19840 116 136 0.22861 117 136 -0.16069 117 138 0.11815 86 Singlet-A 3.9942 310.41 0.0183 0.000 111 139 0.11802 115 122 -0.12376 116 135 -0.10110 116 136 0.30170 116 139 0.11555 117 136 -0.14630 120 141 -0.10716 87 Singlet-A 4.0038 309.66 0.0361 0.000 114 123 0.10338 116 135 0.13393 118 136 -0.13270 119 137 0.21764 120 137 -0.10483 120 140 0.12031 120 141 -0.10463 88 Singlet-A 4.0064 309.47 0.0271 0.000 112 122 -0.12546 114 123 0.21212 116 139 -0.11244 117 130 0.10767 118 136 0.10468 119 137 0.14362 120 142 -0.10839 89 Singlet-A 4.0098 309.20 0.0504 0.000 112 122 -0.12092 115 123 0.11512 116 139 0.11187 117 138 0.10780 117 139 -0.17494 118 139 -0.10590 119 140 -0.16609 120 139 0.12561 120 141 0.18151 90 Singlet-A 4.0193 308.47 0.0085 0.000 113 121 0.11319 114 122 0.13500 115 122 -0.12249 116 137 -0.11767 117 137 -0.11562 117 139 0.11888 118 137 -0.11145 118 140 -0.10875 119 138 0.13916 119 140 0.19163 91 Singlet-A 4.0215 308.30 0.0432 0.000 113 122 0.19203 115 123 -0.17817 116 137 0.14795 117 136 0.12077 117 142 0.11166 118 139 -0.10263 119 137 -0.16149 92 Singlet-A 4.0324 307.47 0.0211 0.000 113 122 -0.22535 115 123 0.25734 119 125 0.11635 119 137 -0.17552 120 135 -0.10240 120 139 -0.10374 120 145 -0.12916 93 Singlet-A 4.0438 306.60 0.0109 0.000 113 122 0.12447 115 122 0.10473 117 137 -0.15422 117 140 0.12744 118 136 0.18762 118 137 -0.11642 118 138 -0.11340 94 Singlet-A 4.0504 306.11 0.0489 0.000 112 121 0.13242 112 122 -0.11184 114 123 0.17961 116 139 0.10301 117 134 0.10203 117 139 -0.11659 119 135 0.16820 119 139 0.12242 95 Singlet-A 4.0633 305.13 0.0553 0.000 111 121 -0.11908 112 121 -0.18861 114 122 0.22658 117 124 0.10886 117 137 0.11396 117 140 0.14914 118 132 -0.12306 118 138 0.11635 120 139 0.10051 96 Singlet-A 4.0691 304.70 0.0586 0.000 111 121 -0.11981 112 122 0.17760 113 121 0.11114 114 122 0.17941 116 138 0.11874 117 134 0.10417 118 136 0.11594 120 137 -0.11422 120 139 -0.10927 120 143 -0.11156 120 149 0.10827 97 Singlet-A 4.0772 304.09 0.0659 0.000 111 122 0.12542 114 121 0.18961 116 137 -0.10393 116 138 -0.13434 116 141 -0.10407 117 139 -0.14503 118 135 -0.10579 118 136 -0.11831 119 144 -0.12079 98 Singlet-A 4.0838 303.60 0.0349 0.000 111 123 -0.13838 112 121 -0.16251 113 123 0.20750 115 122 0.13019 116 139 0.14994 117 125 0.10492 118 141 0.10429 119 138 0.11477 120 140 0.16101 99 Singlet-A 4.0848 303.53 0.0119 0.000 111 121 0.15128 111 123 0.11192 112 122 0.17043 113 123 -0.10542 114 122 -0.12346 114 123 0.15729 115 122 -0.10641 116 125 0.12880 117 139 0.10524 120 139 0.14477 120 141 0.17572 100 Singlet-A 4.0951 302.77 0.0120 0.000 111 123 0.11118 112 122 -0.18435 113 121 0.11077 114 123 -0.12997 116 140 -0.11985 117 133 0.10035 117 137 0.12853 118 131 0.10990 118 134 -0.11064 118 137 -0.10225 119 134 0.20900 120 139 -0.15941 101 Singlet-A 4.1038 302.12 0.0362 0.000 111 121 0.14280 111 123 -0.10903 112 123 0.20856 113 121 0.12666 116 138 -0.11699 117 138 -0.10480 117 143 0.10281 118 138 -0.10174 118 140 -0.12547 119 126 0.10619 119 138 -0.10325 120 140 0.10857 102 Singlet-A 4.1181 301.07 0.0280 0.000 111 121 0.23320 111 123 -0.13163 113 123 -0.15040 118 138 0.10816 119 139 0.10652 119 141 0.11140 120 140 -0.12276 120 141 -0.17495 103 Singlet-A 4.1273 300.40 0.0064 0.000 111 123 -0.12040 112 122 -0.20395 114 123 0.15050 116 140 0.10413 117 139 0.13222 118 139 0.23457 119 135 -0.11176 119 139 0.11635 104 Singlet-A 4.1315 300.10 0.0257 0.000 111 122 0.22714 112 121 0.16097 114 121 0.17685 116 126 0.16171 117 137 0.10535 118 140 -0.10515 119 139 -0.22711 105 Singlet-A 4.1385 299.59 0.0112 0.000 112 121 -0.10376 114 122 0.13622 116 139 -0.11619 116 140 0.11461 116 146 0.11083 117 134 -0.10957 117 140 -0.13025 118 138 -0.10583 118 140 0.10211 119 139 -0.13391 119 140 0.12845 120 141 0.11734 120 144 0.17518 106 Singlet-A 4.1473 298.96 0.0123 0.000 111 122 0.17613 118 139 0.13512 118 140 0.18150 120 140 -0.12605 120 142 0.19987 107 Singlet-A 4.1662 297.60 0.0381 0.000 109 121 0.12614 111 123 0.31307 112 123 0.11597 116 140 0.15908 116 142 0.12624 117 140 -0.12248 118 140 -0.19382 108 Singlet-A 4.1753 296.95 0.0183 0.000 111 121 0.10039 112 122 -0.10626 115 121 -0.10655 117 139 0.18773 118 141 -0.10550 119 140 -0.17453 119 142 0.13947 109 Singlet-A 4.1832 296.38 0.0277 0.000 108 121 0.10149 110 121 0.31326 117 141 -0.13538 110 Singlet-A 4.1877 296.07 0.0401 0.000 109 121 -0.10728 110 121 -0.16808 110 122 0.19947 113 121 0.13143 117 140 -0.16987 117 142 0.11881 111 Singlet-A 4.2013 295.11 0.0236 0.000 108 121 0.10734 109 122 -0.10044 110 121 0.22631 110 122 0.11413 111 122 -0.13664 118 141 0.20638 119 141 0.13073 120 142 -0.11394 112 Singlet-A 4.2130 294.29 0.0487 0.000 108 121 -0.15683 109 121 0.14655 109 122 0.10327 110 122 0.18281 111 122 -0.12525 111 123 -0.11921 118 141 -0.16811 119 143 0.12366 113 Singlet-A 4.2193 293.85 0.0643 0.000 109 122 0.13490 110 121 0.10656 111 121 0.10833 116 141 -0.10979 117 142 -0.11606 117 145 -0.13289 119 139 -0.10894 120 143 0.10712 120 146 -0.11115 114 Singlet-A 4.2209 293.74 0.0146 0.000 108 121 0.27989 109 121 -0.19834 110 122 0.12769 111 121 0.12187 116 134 0.10688 119 125 0.10836 115 Singlet-A 4.2351 292.75 0.0059 0.000 107 121 0.11729 108 121 -0.17025 109 121 -0.10534 110 122 0.21614 110 123 0.12450 118 143 -0.15123 120 146 0.13089 120 148 0.12305 116 Singlet-A 4.2413 292.32 0.0134 0.000 107 121 -0.17718 108 123 0.18890 109 121 0.16612 109 122 -0.15791 110 121 -0.10759 110 122 0.11037 120 145 -0.11458 117 Singlet-A 4.2493 291.78 0.0220 0.000 107 121 0.17002 108 122 -0.10852 113 123 0.11191 116 138 -0.12642 116 141 0.16007 118 143 0.11872 118 Singlet-A 4.2557 291.34 0.0470 0.000 107 121 0.16652 108 122 -0.12725 109 121 0.12557 109 122 0.21955 113 123 -0.10899 114 121 0.13895 117 140 0.15316 118 141 0.15043 120 132 -0.11363 119 Singlet-A 4.2583 291.16 0.0687 0.000 108 122 -0.10369 108 123 -0.11191 109 122 0.27837 110 123 -0.10361 111 124 0.13336 116 145 0.12098 119 142 -0.12246 120 147 0.10875 120 Singlet-A 4.2627 290.86 0.0149 0.000 107 121 0.10003 109 121 -0.10517 112 123 -0.10528 113 122 -0.10104 116 141 -0.10137 116 143 0.12513 117 138 -0.13237 117 141 0.15483 119 141 -0.11228 120 142 0.13179 121 Singlet-A 4.2701 290.36 0.0133 0.000 108 122 0.21249 109 122 0.22640 110 121 0.13075 110 123 0.11776 116 138 -0.10951 116 141 0.11250 118 131 -0.10399 119 133 0.10079 122 Singlet-A 4.2814 289.59 0.1028 0.000 107 121 -0.11191 109 123 0.17304 110 123 -0.12770 112 123 -0.15462 113 123 -0.14940 116 143 0.11122 119 141 0.10911 119 147 -0.11411 123 Singlet-A 4.2878 289.15 0.0156 0.000 107 121 -0.16717 108 123 0.19018 109 123 0.11379 119 141 -0.16179 120 136 0.12146 124 Singlet-A 4.2949 288.68 0.0189 0.000 107 122 0.17633 107 123 0.10132 108 121 -0.16736 108 122 -0.11112 108 123 -0.11947 109 123 0.25119 116 133 -0.10228 116 140 0.10592 125 Singlet-A 4.3060 287.93 0.0829 0.000 107 122 -0.16058 109 122 0.12275 109 123 -0.10567 110 122 0.24243 111 122 0.10341 112 123 0.10605 114 121 -0.12601 115 123 -0.10682 119 144 0.13480 120 142 0.10856 126 Singlet-A 4.3160 287.26 0.0862 0.000 107 121 0.20915 107 123 0.22337 108 122 -0.13684 108 123 0.22829 109 123 0.10614 112 121 0.12262 112 123 0.10648 113 123 0.13697 117 133 0.10251 118 126 0.10989 127 Singlet-A 4.3212 286.92 0.0957 0.000 107 122 0.14987 107 123 -0.13946 110 121 0.11801 110 123 -0.14084 111 122 0.11761 112 121 0.10306 113 123 0.12077 117 141 -0.11126 117 148 0.11488 128 Singlet-A 4.3313 286.25 0.1195 0.000 108 125 0.10275 109 121 0.13216 110 122 0.12139 111 121 0.10283 113 123 0.16205 115 122 -0.10143 116 141 0.10684 117 141 0.11685 119 143 -0.10655 129 Singlet-A 4.3371 285.87 0.1716 0.000 108 123 0.26955 109 123 -0.12336 110 121 0.13490 111 122 0.14070 118 147 -0.10323 120 148 -0.11424 130 Singlet-A 4.3563 284.61 0.0266 0.000 107 121 -0.13193 107 122 -0.16210 107 123 0.23880 109 123 0.11831 110 126 0.13131 118 147 -0.11675 119 148 -0.14339 131 Singlet-A 4.3579 284.51 0.2797 0.000 108 122 -0.13120 109 123 -0.15673 111 122 0.13598 114 121 -0.12263 115 123 -0.11678 117 143 0.15990 119 144 -0.14851 132 Singlet-A 4.3726 283.55 0.3224 0.000 109 121 -0.16146 109 122 0.10247 110 123 -0.13256 111 121 -0.18170 112 123 0.21074 113 121 -0.10365 114 122 -0.17059 116 144 -0.10120 120 146 -0.10728 133 Singlet-A 4.3778 283.21 0.0995 0.000 115 124 0.11547 116 144 0.10237 117 147 -0.10678 118 150 0.11720 119 149 0.17195 120 136 0.11089 120 137 -0.10895 120 142 0.10616 134 Singlet-A 4.3851 282.74 0.0354 0.000 108 123 0.14445 117 144 0.10474 117 148 0.10146 119 150 -0.13618 120 148 -0.12337 135 Singlet-A 4.3881 282.55 0.1083 0.000 108 122 0.10321 108 123 0.12152 110 123 0.11273 113 130 -0.10241 116 150 0.13869 117 146 0.17431 118 143 -0.10668 136 Singlet-A 4.4016 281.68 0.1143 0.000 108 123 -0.10929 109 121 0.15597 109 123 0.12364 110 123 0.18863 111 122 0.11613 116 126 0.11756 116 144 -0.14813 120 135 -0.13971 120 136 0.12761 137 Singlet-A 4.4092 281.19 0.1395 0.000 107 123 -0.12930 108 122 0.16900 109 121 0.11511 113 123 -0.11395 116 143 -0.10035 116 144 0.13782 118 142 -0.11214 120 142 -0.11544 138 Singlet-A 4.4304 279.85 0.3406 0.000 108 122 0.10025 109 121 0.11518 110 122 0.12468 110 123 -0.14326 113 127 0.12659 116 142 0.13000 118 142 0.10710 119 126 0.11601 119 142 0.14618 119 143 0.10590 139 Singlet-A 4.4503 278.60 0.2271 0.000 107 121 -0.12691 107 122 0.16741 108 122 -0.13828 110 123 0.23351 113 123 0.12787 118 135 -0.10076 119 126 -0.14005 119 143 0.11533 120 137 0.15620 140 Singlet-A 4.4566 278.20 0.1344 0.000 114 124 0.11034 116 150 -0.11135 117 135 0.12527 118 137 -0.15263 118 138 0.12690 118 147 -0.10117 119 135 0.11310 119 138 -0.11348 120 135 0.20503 141 Singlet-A 4.4607 277.95 0.1950 0.000 107 122 0.11570 115 126 -0.10161 116 141 -0.10807 116 142 0.16165 116 143 -0.10630 117 143 0.14571 118 135 0.11541 119 149 -0.10325 142 Singlet-A 4.4704 277.34 0.2696 0.000 107 122 0.18770 107 123 0.19992 108 121 0.12714 116 124 -0.10131 117 126 -0.13084 117 135 -0.11701 118 138 -0.11472 119 138 0.15144 119 141 0.11610 120 144 -0.12720 143 Singlet-A 4.4777 276.89 0.1850 0.000 107 122 0.12055 107 123 0.22483 109 123 -0.10644 117 135 0.12956 117 138 0.11571 118 136 0.14712 119 138 -0.11497 144 Singlet-A 4.4881 276.25 0.2205 0.000 108 122 -0.10935 114 124 -0.11407 114 128 -0.11900 116 149 -0.10176 117 145 -0.12084 118 149 -0.10135 119 136 0.16207 119 137 0.10057 120 136 -0.13143 120 146 -0.14134 145 Singlet-A 4.4968 275.72 0.0504 0.000 114 124 0.10470 115 126 -0.10304 118 143 0.12853 119 135 -0.12929 120 135 0.14599 120 150 -0.13021 146 Singlet-A 4.5061 275.14 0.0104 0.000 107 123 -0.10152 113 124 -0.15020 115 124 -0.10517 116 135 -0.13734 117 135 0.15034 117 137 0.15462 118 135 -0.14575 118 148 0.10442 119 138 0.18681 147 Singlet-A 4.5135 274.69 0.2700 0.000 109 123 -0.15183 112 124 0.15490 113 126 -0.10850 115 124 -0.14016 116 136 -0.11008 116 137 0.11009 117 136 -0.10890 118 136 -0.13126 118 142 -0.12528 119 136 0.12241 120 136 0.11418 148 Singlet-A 4.5209 274.25 0.3832 0.000 107 122 0.11965 112 123 0.10943 112 129 0.13563 115 124 0.19372 115 125 -0.10175 117 137 0.10519 117 145 -0.13539 118 135 -0.13042 118 136 0.10850 119 145 0.10647 120 145 -0.11229 149 Singlet-A 4.5222 274.17 0.1827 0.000 116 137 0.14982 116 145 0.12859 118 135 -0.11133 118 137 -0.12679 118 145 -0.15970 119 136 0.16536 150 Singlet-A 4.5385 273.18 0.1279 0.000 115 124 -0.15571 115 125 0.17830 116 136 0.13772 116 137 0.15672 116 138 -0.11184 116 149 0.11401 117 136 0.18078 151 Singlet-A 4.5485 272.58 0.1040 0.000 108 124 0.11806 111 124 -0.12114 111 125 0.14625 114 125 0.14406 115 124 0.15864 117 137 0.13656 118 145 -0.10440 119 135 0.12432 119 136 0.10288 120 147 0.10430 152 Singlet-A 4.5557 272.15 0.6315 0.000 112 124 0.10881 113 129 -0.13125 116 137 -0.15877 116 150 -0.10407 117 141 0.10101 117 149 -0.10836 118 143 -0.10208 119 145 0.19307 153 Singlet-A 4.5589 271.96 0.1942 0.000 113 124 0.15335 116 136 0.10474 116 137 0.16137 117 138 -0.13531 118 148 0.10790 119 145 0.14248 119 149 -0.10758 154 Singlet-A 4.5738 271.07 0.0500 0.000 113 124 -0.13103 115 125 0.11956 116 138 0.11906 116 146 -0.10031 116 150 0.13125 117 138 0.19332 119 143 -0.10375 119 146 0.12707 120 147 -0.13124 155 Singlet-A 4.5769 270.89 0.6604 0.000 111 127 0.11097 115 128 0.12706 116 135 -0.11228 116 138 0.11922 116 149 -0.10060 117 138 0.11327 117 149 -0.10859 156 Singlet-A 4.5821 270.58 0.2019 0.000 112 124 -0.19386 115 126 0.13957 118 136 0.11295 118 137 0.23569 120 146 0.12451 157 Singlet-A 4.6004 269.51 0.3643 0.000 111 124 -0.12799 115 125 -0.13336 116 138 0.14199 116 149 0.21148 116 150 0.10153 118 144 -0.10912 119 149 0.11243 120 145 0.10148 158 Singlet-A 4.6203 268.35 0.0956 0.000 111 125 0.13321 111 126 -0.12969 113 126 -0.10437 114 124 0.17287 115 126 0.14255 116 147 -0.13851 117 140 -0.10990 119 138 0.12596 159 Singlet-A 4.6303 267.77 0.0394 0.000 112 125 0.14585 114 124 0.24442 114 125 0.15012 115 124 -0.18552 115 126 0.19419 117 144 -0.10557 160 Singlet-A 4.6445 266.95 0.0643 0.000 113 124 -0.10019 113 125 0.17542 114 124 0.21735 115 126 0.18192 116 148 -0.13270 117 138 -0.11506 117 144 0.10502 120 139 0.10487 120 146 -0.10617 161 Singlet-A 4.6467 266.82 0.0285 0.000 113 125 0.23848 115 124 0.10401 115 126 0.13052 116 137 0.11374 118 139 -0.15693 118 145 0.12261 120 139 -0.21151 120 145 0.10354 162 Singlet-A 4.6664 265.69 0.0152 0.000 111 124 0.19798 112 124 -0.15513 113 126 -0.14487 115 125 0.18329 117 144 0.13002 118 148 -0.13185 119 142 0.10697 120 145 0.12899 163 Singlet-A 4.6760 265.15 0.0978 0.000 111 125 -0.11590 112 125 0.15830 114 126 -0.13020 114 131 -0.12386 115 124 0.11381 116 148 0.16063 118 147 0.17207 118 150 -0.10226 119 148 -0.14084 120 147 0.10074 164 Singlet-A 4.6879 264.48 0.0361 0.000 111 125 -0.10348 112 124 0.11602 115 126 0.11492 116 146 0.10753 117 141 0.10494 117 142 0.17303 119 132 0.11710 119 139 -0.12310 119 142 -0.11512 119 146 -0.13219 120 149 -0.13973 165 Singlet-A 4.6941 264.13 0.0260 0.000 111 124 0.16336 111 125 0.12279 111 126 0.11663 112 126 -0.13409 115 125 0.19164 116 143 -0.18304 116 144 -0.11473 116 149 0.10568 117 150 0.11213 119 147 -0.10828 166 Singlet-A 4.7006 263.76 0.0258 0.000 110 126 0.10545 112 125 0.25618 113 125 0.11106 114 126 0.13984 118 138 0.13249 118 139 0.10754 119 138 -0.13631 167 Singlet-A 4.7108 263.19 0.0380 0.000 111 124 0.20488 112 125 0.14092 113 124 -0.19395 113 126 0.10561 114 133 -0.11326 115 125 0.10295 117 150 -0.15724 119 148 0.10405 168 Singlet-A 4.7184 262.77 0.0109 0.000 111 125 0.11153 113 126 0.17536 116 142 0.11423 117 140 0.10823 119 142 -0.11061 119 149 0.14566 120 140 -0.16797 169 Singlet-A 4.7305 262.10 0.0242 0.000 111 124 -0.14282 113 126 -0.10105 116 142 0.15165 116 147 0.11595 118 142 0.12223 118 146 -0.12232 119 140 -0.13484 120 139 -0.14707 120 141 -0.10170 170 Singlet-A 4.7393 261.61 0.0504 0.000 112 124 0.10182 113 125 0.17506 113 126 0.12174 116 143 -0.12112 116 144 -0.10344 116 145 -0.16798 117 140 -0.16281 118 149 0.12731 119 143 -0.10636 119 149 0.11105 171 Singlet-A 4.7512 260.95 0.0005 0.000 109 131 -0.10185 111 125 -0.10373 113 125 -0.10117 114 126 -0.11479 114 127 0.11914 115 124 0.22929 118 137 0.10480 118 144 0.10721 118 145 0.10217 120 143 0.10254 120 145 0.13071 172 Singlet-A 4.7715 259.84 0.0229 0.000 111 126 -0.10216 112 125 0.18085 112 126 -0.14675 113 124 0.18584 113 126 0.19221 115 125 -0.11709 117 149 0.10178 173 Singlet-A 4.7909 258.79 0.0043 0.000 109 124 0.10222 112 125 -0.10425 112 126 -0.17316 113 124 0.12146 114 125 0.17459 117 146 0.18348 117 147 -0.10567 118 140 0.11233 119 139 0.13060 120 139 -0.10615 174 Singlet-A 4.7995 258.33 0.0018 0.000 111 124 -0.17926 112 126 0.13346 113 125 -0.18808 114 131 -0.10808 115 125 0.21081 117 148 -0.10440 118 149 0.11116 120 148 -0.12024 120 150 -0.10832 175 Singlet-A 4.8016 258.21 0.0017 0.000 108 124 0.10275 110 124 0.11607 111 125 -0.11683 111 126 -0.12185 112 124 -0.19630 112 125 -0.10223 114 125 0.27303 119 140 -0.10587 119 144 -0.10278 176 Singlet-A 4.8211 257.17 0.0015 0.000 111 126 -0.10653 114 125 0.23839 115 127 0.10265 116 140 0.18882 117 150 -0.13410 118 145 0.13537 119 142 -0.11118 177 Singlet-A 4.8359 256.38 0.0041 0.000 108 124 0.11552 111 124 0.11362 113 125 0.10854 114 125 -0.12210 116 140 0.14823 117 145 0.10789 117 150 0.10125 118 149 0.14373 119 140 0.14921 119 145 0.10960 120 140 -0.11449 178 Singlet-A 4.8465 255.82 0.0108 0.000 112 124 0.14297 112 134 0.10487 114 126 0.12240 114 127 -0.10522 115 127 0.11008 116 146 0.14766 117 149 0.10089 179 Singlet-A 4.8550 255.37 0.0012 0.000 107 124 -0.13654 112 124 0.14932 114 125 0.17245 116 141 0.12791 117 139 -0.10532 117 147 0.14096 117 148 0.10659 118 146 -0.14337 180 Singlet-A 4.8709 254.54 0.0114 0.000 110 125 0.11305 112 124 0.12918 113 124 0.10748 115 125 0.11064 116 142 0.11919 116 150 0.11939 117 139 0.16597 118 140 0.10318 118 143 -0.12903 118 147 -0.13279 119 141 -0.10636 119 147 -0.14167 181 Singlet-A 4.8780 254.17 0.0043 0.000 111 125 0.11671 114 126 0.24529 116 141 0.10490 118 141 -0.10549 118 147 0.12410 119 144 0.10274 120 149 -0.10226 182 Singlet-A 4.8785 254.14 0.0062 0.000 111 126 -0.11619 113 124 0.18881 114 126 0.13524 114 127 -0.11502 114 132 -0.10167 117 146 -0.11328 118 148 0.11353 120 149 0.15855 183 Singlet-A 4.8972 253.17 0.0012 0.000 108 124 -0.13249 109 124 0.17592 109 125 -0.10811 112 126 0.11957 113 130 0.10495 114 126 -0.11816 114 127 -0.15230 115 127 -0.11203 116 140 0.11422 119 144 0.10209 120 150 -0.10930 184 Singlet-A 4.8981 253.13 0.0066 0.000 108 125 0.12113 109 126 -0.14575 110 124 -0.11602 113 125 -0.12253 114 124 -0.13440 114 126 0.20924 118 150 -0.11343 119 144 -0.11291 119 146 -0.10368 120 149 0.14461 185 Singlet-A 4.9084 252.59 0.0038 0.000 108 126 0.13450 109 125 -0.12810 110 124 -0.19039 110 126 -0.12567 111 126 -0.15292 113 126 -0.13058 114 127 0.23224 115 126 0.10919 115 127 0.11002 186 Singlet-A 4.9133 252.34 0.0036 0.000 107 126 0.10308 108 124 -0.14570 109 124 0.19487 110 125 -0.11306 111 125 0.21299 112 126 -0.14931 114 133 -0.10369 118 148 -0.10143 118 149 0.10804 187 Singlet-A 4.9153 252.24 0.0033 0.000 109 125 0.17529 111 124 -0.10405 112 127 0.13518 112 130 -0.13294 113 126 -0.16415 114 126 -0.10421 116 149 -0.11347 117 148 0.11804 117 149 0.11843 118 148 0.10499 119 150 -0.10451 188 Singlet-A 4.9226 251.87 0.0054 0.000 108 125 -0.15579 110 124 0.24192 110 125 0.17601 111 125 0.21323 114 128 -0.10658 116 145 0.10145 116 147 0.10020 117 149 -0.15081 189 Singlet-A 4.9289 251.54 0.0015 0.000 107 125 -0.11741 110 124 0.11934 112 128 0.10235 113 126 0.11397 113 132 0.10478 114 127 0.11595 115 126 0.11619 115 127 0.26482 117 145 -0.10718 120 142 0.11129 190 Singlet-A 4.9385 251.06 0.0040 0.000 111 127 0.10053 112 126 0.17530 115 126 -0.11184 116 139 0.10438 116 146 0.13121 116 148 -0.15421 117 141 -0.11259 118 137 0.10175 118 141 -0.14033 118 150 -0.16642 119 148 -0.10625 119 149 0.12085 191 Singlet-A 4.9502 250.47 0.0021 0.000 108 124 0.12932 109 124 0.20844 111 124 0.12004 112 125 0.11888 112 126 0.18413 113 124 0.10340 115 128 0.13234 115 131 0.10127 116 149 0.12835 117 148 0.11298 192 Singlet-A 4.9588 250.03 0.0064 0.000 108 124 -0.12059 110 124 -0.11364 110 125 -0.15442 112 127 0.21754 114 127 -0.21682 115 128 0.10975 116 150 -0.10198 117 149 -0.13656 118 144 0.10075 193 Singlet-A 4.9711 249.41 0.0042 0.000 107 124 0.20961 107 125 0.16526 109 124 -0.15937 110 124 0.10717 110 125 0.14026 111 126 -0.20460 115 127 0.14596 115 130 -0.10992 117 141 0.10906 194 Singlet-A 4.9827 248.83 0.0012 0.000 107 124 -0.15268 110 125 -0.11361 115 127 0.17180 116 141 -0.14837 116 146 -0.14718 117 141 0.15308 117 144 0.10787 118 149 -0.11812 119 142 -0.11702 119 149 0.10632 195 Singlet-A 4.9997 247.98 0.0061 0.000 107 124 0.14673 107 125 -0.10826 108 124 0.10523 108 125 0.11496 109 125 0.13212 111 126 -0.13842 111 128 0.13097 112 126 -0.18592 113 126 0.11467 115 128 0.20357 115 130 0.10126 115 131 0.13460 196 Singlet-A 5.0029 247.82 0.0117 0.000 107 124 -0.10279 107 125 -0.12258 108 124 0.22449 108 125 0.10828 109 126 -0.11328 110 126 0.15384 111 126 0.12332 113 127 0.11493 114 127 -0.10455 114 128 0.12107 114 130 -0.15396 115 130 -0.15091 115 131 -0.12518 197 Singlet-A 5.0140 247.27 0.0027 0.000 108 124 -0.12107 108 126 0.19787 109 124 -0.16215 109 125 0.14713 109 126 -0.15339 110 126 -0.16516 111 126 0.21760 115 126 0.12405 115 131 0.18845 198 Singlet-A 5.0154 247.21 0.0001 0.000 107 124 -0.17516 107 125 0.13498 108 124 -0.10176 109 124 -0.13540 109 125 -0.15253 109 126 -0.17996 110 125 0.12707 112 125 -0.10215 112 132 0.11084 113 127 0.27455 115 129 -0.11684 115 131 0.11387 199 Singlet-A 5.0298 246.50 0.0024 0.000 107 126 0.19270 109 124 -0.10010 109 125 -0.17054 110 126 -0.15090 111 127 -0.17566 112 127 0.17319 113 127 -0.13547 114 130 -0.13803 115 128 0.20646 200 Singlet-A 5.0378 246.11 0.0015 0.000 110 125 0.13598 111 130 -0.11541 113 127 -0.10084 113 128 0.22065 114 127 -0.13935 114 129 0.15113 114 134 -0.10466 115 130 0.19619 115 131 0.16374 201 Singlet-A 5.0452 245.75 0.0001 0.000 107 124 0.12597 107 125 -0.13537 108 126 -0.19950 109 125 -0.12645 110 126 -0.17440 112 127 0.10388 113 127 0.20460 113 133 -0.10460 114 128 -0.18032 115 128 -0.15060 115 129 0.17794 202 Singlet-A 5.0550 245.27 0.0027 0.000 108 125 0.17077 111 127 0.16063 112 130 0.10421 112 133 0.10217 114 128 0.14471 114 130 -0.17866 115 129 0.23125 115 131 0.17455 203 Singlet-A 5.0619 244.94 0.0044 0.000 107 126 0.17701 108 124 0.12378 108 125 0.15258 110 126 0.16590 112 130 -0.14620 114 127 0.14820 114 128 -0.12251 114 130 0.17170 115 128 -0.10342 115 129 0.15298 115 132 -0.13259 204 Singlet-A 5.0732 244.39 0.0079 0.000 107 125 0.12161 108 126 0.10409 111 126 -0.11407 111 127 -0.14657 112 128 -0.15780 113 132 0.10407 114 128 -0.16702 114 130 -0.16180 115 129 0.26210 115 131 -0.11223 205 Singlet-A 5.0749 244.31 0.0045 0.000 107 124 -0.16140 107 126 -0.10921 108 125 -0.10197 109 126 0.11227 110 125 0.13095 110 126 0.14230 111 124 0.10834 111 127 0.19609 111 128 0.10073 112 127 0.18762 112 128 -0.10222 113 127 -0.14571 113 128 -0.13715 113 133 0.12164 114 134 0.11432 115 129 0.12414 206 Singlet-A 5.0933 243.43 0.0060 0.000 108 125 -0.12976 110 125 0.12520 113 131 0.11627 113 132 -0.16057 115 128 0.18210 115 129 0.16839 115 131 -0.10134 119 143 -0.10494 120 144 0.10348 120 149 -0.10972 207 Singlet-A 5.1024 242.99 0.0078 0.000 109 125 0.10111 111 127 0.18489 111 128 -0.16238 112 127 0.13538 112 128 -0.20526 113 131 0.20913 114 129 0.12698 114 130 -0.10118 115 129 -0.12991 208 Singlet-A 5.1115 242.56 0.0238 0.000 108 125 0.16539 108 126 0.10179 111 127 0.10818 112 127 -0.16415 112 128 0.13124 113 128 -0.16961 113 129 -0.11977 113 131 0.17092 115 132 -0.16141 209 Singlet-A 5.1175 242.27 0.0040 0.000 107 126 0.12150 110 127 0.11956 112 127 -0.14762 112 128 -0.15046 113 128 -0.19357 113 129 0.15912 114 129 0.27313 115 127 0.10358 210 Singlet-A 5.1222 242.05 0.0014 0.000 111 128 0.10382 112 128 0.14663 112 129 0.23268 112 132 0.13250 113 127 -0.11409 114 128 -0.20107 114 129 0.12235 114 130 -0.15735 114 131 0.15048 211 Singlet-A 5.1328 241.55 0.0046 0.000 109 124 0.10980 110 124 0.14046 110 125 0.12052 111 128 0.13287 112 131 0.11825 113 129 0.15536 114 129 0.25873 116 147 -0.10304 212 Singlet-A 5.1423 241.11 0.0045 0.000 109 126 0.10918 111 127 0.16843 113 126 -0.10084 113 128 0.26890 113 131 -0.10418 114 134 0.13978 115 128 0.17172 115 131 -0.15305 115 132 -0.12817 116 143 -0.11057 213 Singlet-A 5.1535 240.58 0.0098 0.000 109 125 0.10858 109 126 -0.10379 109 127 0.10306 110 124 -0.14337 110 126 -0.12984 113 131 -0.15795 113 132 0.17273 114 129 0.16131 114 131 -0.15992 118 147 -0.10763 119 149 -0.11062 214 Singlet-A 5.1646 240.07 0.0208 0.000 107 124 -0.10644 107 126 0.14104 108 126 0.10160 109 126 0.17939 109 127 0.22921 110 126 -0.11965 111 129 -0.16504 112 129 0.15142 113 131 -0.10705 113 133 0.14613 114 129 -0.15872 215 Singlet-A 5.1681 239.90 0.0058 0.000 109 126 -0.16407 111 129 -0.13232 112 128 -0.17966 112 129 0.14366 112 131 -0.11076 113 129 0.22911 114 129 -0.12891 114 133 -0.12337 216 Singlet-A 5.1760 239.54 0.0075 0.000 107 124 -0.10495 109 127 -0.16557 111 128 0.18129 111 130 -0.11774 112 127 0.11634 113 128 -0.10217 114 128 -0.15840 114 134 0.11565 115 130 -0.16823 217 Singlet-A 5.1862 239.07 0.0024 0.000 108 125 -0.15708 108 126 0.17796 111 129 -0.13003 112 127 0.11222 112 128 0.15641 112 129 0.15745 114 128 0.10789 114 129 0.10604 115 132 -0.12317 117 144 0.10631 218 Singlet-A 5.1980 238.52 0.0081 0.000 107 124 0.10946 107 125 0.14215 109 125 -0.13763 111 132 0.10508 112 130 0.11865 113 130 0.24140 114 128 -0.10537 114 129 -0.10415 114 130 -0.17140 114 134 0.11800 115 130 0.10133 219 Singlet-A 5.1997 238.44 0.0115 0.000 107 125 0.19317 107 126 -0.14321 108 124 0.13407 108 125 0.12349 108 127 0.12044 111 128 -0.13844 113 129 0.14063 114 131 0.10201 114 133 -0.11215 115 130 -0.10737 118 149 -0.11562 119 143 0.12345 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O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -1.943090 -1.849688 -1.846270 -1.845027 -1.689803 -1.689338 -1.685816 -1.685374 -1.683235 -1.533367 -1.531577 -1.527452 -1.461796 -1.457382 -1.455036 -1.453509 -1.307186 -1.303478 -1.302332 -1.300531 -1.299090 -1.251620 -1.248406 -1.245406 -1.244971 -1.122141 -1.121243 -1.120957 -1.102912 -1.099997 -1.099065 -0.993001 -0.990077 -0.988989 -0.986527 -0.982159 -0.945218 -0.872210 -0.869136 -0.866099 -0.865116 -0.861058 -0.810447 -0.807837 -0.806560 -0.786516 -0.784675 -0.782141 -0.782020 -0.675946 -0.670123 -0.668576 -0.666793 -0.665593 -0.665267 -0.663650 -0.662724 -0.660020 -0.655460 -0.654154 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-26.631638 -26.643426 -26.641043 -26.614007 -26.638219 -26.631744 -26.641337 -26.630256 -26.596179 -26.598862 -26.595706 -26.601756 -26.659107 -26.607366 -26.609628 -26.569999 -26.549751 -26.571982 -26.569904 -26.494275 -26.528199 -26.525183 -26.521033 -26.541294 -26.515503 -26.536726 -26.535841 -26.475679 -26.478772 -26.479318 -6.623132095211D+03 0.1348 0.5777 -0.1389 0.6093 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-MAGINET220 MASIP 06-Apr-2025 0 C1M 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-336.266896 RMSD=6.546e-09 PG=C01 [X(C60)] 0 90.647003 129.186996 67.366997 0 90.667 128.697006 68.717003 0 91.277 130.397003 67.056999 0 91.397003 129.337006 69.707001 0 90.876999 129.477005 71.086998 0 89.397003 128.076996 69.027 0 88.866997 128.276993 70.287003 0 89.637001 128.936996 71.347 0 89.387001 131.106995 65.667 0 88.707001 129.856995 66.046997 0 90.637001 131.367004 66.177002 0 89.327003 128.917007 66.847 0 88.537003 128.227005 67.857002 0 87.306999 130.167007 66.217003 0 86.556999 129.546997 67.207001 0 87.217003 128.546997 68.037003 0 90.037003 133.697006 66.667 0 88.707001 133.427002 66.116997 0 90.997002 132.697006 66.667 0 88.406998 132.177002 65.656998 0 87.107002 131.587006 65.987 0 87.726997 134.197006 66.887001 0 86.476997 133.647003 67.207001 0 86.167 132.317001 66.696999 0 91.686996 133.376999 68.917 0 90.717003 134.466995 68.857002 0 91.836998 132.516998 67.847 0 89.906998 134.617004 67.757004 0 88.467003 134.966995 67.876999 0 90.207001 134.636993 70.207001 0 88.847 134.876999 70.296997 0 87.957001 135.007004 69.167 0 92.007004 130.606995 69.397003 0 91.936996 131.496994 70.507004 0 91.987 131.097 68.116997 0 91.737 132.826996 70.247002 0 90.836998 133.617004 71.067001 0 91.147003 130.837006 71.537003 0 90.266998 131.567001 72.306999 0 90.056999 132.966995 71.997002 0 86.747002 133.947006 70.906998 0 88.086998 134.216995 71.376999 0 88.656998 133.276993 72.226997 0 86.086998 132.766998 71.247002 0 85.327003 132.496994 68.927002 0 85.927002 133.787003 68.577003 0 86.667 134.427002 69.527 0 85.327003 132.037003 70.237 0 85.686996 129.776993 69.387001 0 85.586998 130.266998 67.997002 0 85.457001 131.606995 67.787003 0 85.487 130.617004 70.476997 0 87.317001 129.427002 71.647003 0 87.467003 128.576996 70.467003 0 86.656998 128.707001 69.387001 0 86.357002 130.457001 71.647003 0 88.007004 132.046997 72.586998 0 88.976997 130.957001 72.567001 0 88.686996 129.686996 72.147003 0 86.737 131.787003 72.107002