%mem=16GB
%chk=TS1-R1a-inv-SMD-f.chk
#p freq wb97xd/genecp scrf=(smd,solvent=thf) 

Title Card Required

0 1
Cu     0.778893    -0.633500     0.196173
 C    -0.248085    -2.175800     1.107308
 H     0.322026    -2.842362     1.754282
 H    -1.016965    -2.714904     0.550867
 C    -0.640289    -0.896519     1.683541
 P     2.771335     0.259634     1.006455
 P     0.161714     0.450387    -1.762231
 B     1.053875    -2.626551    -0.426740
 O     2.093927    -3.458154    -0.033643
 O     0.425030    -3.147172    -1.551649
 C     2.261960    -4.492318    -1.027034
 C     0.862949    -4.508794    -1.724320
 C     3.601711     0.211580    -4.871437
 C     1.821739    -0.803822    -3.597459
 C     2.278882     1.552043    -3.357124
 C     3.319114     1.437999    -4.279406
 C     2.848388    -0.910663    -4.527874
 H     2.063135     2.521314    -2.919869
 H     3.905370     2.315345    -4.535529
 H     4.409574     0.127209    -5.592102
 C     4.119417     0.435938    -0.233340
 C     6.155154     0.498070    -2.146546
 C     4.911519     1.576335    -0.379265
 C     4.347810    -0.668280    -1.058950
 C     5.367839    -0.643265    -2.002110
 C     5.922811     1.607191    -1.337887
 H     3.719759    -1.548073    -0.952710
 H     5.535827    -1.508621    -2.636340
 H     6.944003     0.524406    -2.892413
 C     2.634794     1.955434     1.708898
 C     2.162557     4.565211     2.620350
 C     3.015240     2.331868     2.997720
 C     2.026744     2.921651     0.908069
 C     1.783546     4.229374     1.320506
 C     2.771577     3.626158     3.449723
 H     3.488624     1.609421     3.654729
 H     3.061307     3.907029     4.457132
 H     1.985388     5.567431     2.995449
 C    -0.320049     2.222889    -1.604341
 C    -1.065074     4.859721    -0.984552
 C    -1.518551     2.754788    -2.082736
 C     0.482025     3.058601    -0.826676
 C     0.151324     4.374706    -0.507845
 C    -1.890229     4.057854    -1.769259
 H    -2.174136     2.138672    -2.686137
 H    -2.832560     4.451107    -2.137702
 H    -1.375467     5.871921    -0.749201
 C    -1.208066    -0.294101    -2.738565
 C    -3.224635    -1.570037    -4.197859
 C    -1.981586    -1.293838    -2.150584
 C    -1.452849     0.063070    -4.071568
 C    -2.459849    -0.566052    -4.794855
 C    -2.983976    -1.932416    -2.876563
 H    -1.783696    -1.592298    -1.129333
 H    -0.846265     0.829405    -4.546704
 H    -2.642196    -0.282226    -5.826861
 H    -3.570644    -2.715792    -2.406038
 H    -4.004961    -2.068304    -4.765641
 C     3.588463    -0.671009     2.366335
 C     4.721309    -2.107320     4.482119
 C     4.963855    -0.599288     2.612219
 C     2.788837    -1.471464     3.187524
 C     3.351492    -2.183462     4.243578
 C     5.526493    -1.315747     3.664571
 H     5.597716     0.015611     1.979747
 H     1.722911    -1.540745     2.998024
 H     2.718748    -2.801226     4.873506
 H     6.595395    -1.256250     3.846216
 H     5.163080    -2.666537     5.301417
 H     1.248034    -1.683806    -3.317166
 H     4.747335     2.442433     0.255002
 H     3.065122    -1.873601    -4.981695
 H     6.531424     2.499744    -1.448661
 O     1.655485     2.522267    -0.352887
 C     1.167100     5.184035     0.298935
 C     1.521004     0.433556    -3.011059
 C     0.534474     6.410856     0.957950
 H     1.284433     6.974872     1.518987
 H     0.134286     7.088958     0.199310
 H    -0.276904     6.135903     1.638884
 C     2.287822     5.652415    -0.660067
 H     1.872247     6.302680    -1.436602
 H     3.047997     6.212354    -0.105661
 H     2.777428     4.804303    -1.148365
 C    -0.156259    -5.395262    -1.005995
 H    -1.149500    -5.196397    -1.419633
 H     0.065704    -6.458342    -1.138214
 H    -0.186248    -5.177785     0.066444
 C     0.883947    -4.834565    -3.209869
 H    -0.133515    -4.789752    -3.609826
 H     1.498165    -4.125945    -3.770028
 H     1.273417    -5.843696    -3.379761
 C     3.390232    -4.059290    -1.964313
 H     3.134603    -3.136309    -2.493424
 H     4.293852    -3.877377    -1.374842
 H     3.615072    -4.834692    -2.702977
 C     2.640892    -5.788159    -0.324601
 H     1.927631    -6.042230     0.462269
 H     2.684132    -6.616546    -1.039488
 H     3.628862    -5.684422     0.134079
 C    -3.087123    -1.452381     1.998594
 C    -4.265897    -1.675823     1.380993
 C    -2.710325    -2.281313     3.179453
 H    -4.897104    -2.458942     1.804569
 B    -4.940916    -0.810723     0.283791
 C    -2.216257    -1.688897     4.349213
 C    -2.833113    -3.674356     3.138420
 O    -6.285171    -0.954003     0.031407
 O    -4.369444     0.196297    -0.452625
 C    -1.870728    -2.467485     5.448647
 H    -2.109524    -0.609556     4.399211
 C    -2.478608    -4.456143     4.235584
 H    -3.192221    -4.148285     2.229025
 C    -6.618503    -0.082420    -1.069788
 C    -5.445337     0.957655    -1.044102
 C    -1.997191    -3.855210     5.395651
 H    -1.498091    -1.988765     6.349543
 H    -2.573762    -5.536690     4.180017
 C    -7.997683     0.513752    -0.829765
 C    -6.631072    -0.942726    -2.333051
 C    -5.701032     2.143165    -0.113112
 C    -5.021694     1.456030    -2.416652
 H    -1.719199    -4.462533     6.251876
 H    -8.236839     1.247404    -1.606285
 H    -8.753798    -0.276114    -0.865400
 H    -8.061829     1.002649     0.144435
 H    -7.335753    -1.767670    -2.194366
 H    -6.944381    -0.366248    -3.208169
 H    -5.642743    -1.364988    -2.531882
 H    -4.764429     2.691892     0.020104
 H    -6.448998     2.824353    -0.529892
 H    -6.040083     1.812957     0.873284
 H    -5.881300     1.873734    -2.950869
 H    -4.280758     2.250503    -2.305388
 H    -4.584945     0.656070    -3.018561
 H    -0.229586    -0.701590     2.673135
 C    -2.294833     0.978584     2.135897
 C    -3.501306     1.347700     2.738881
 C    -1.287885     1.946675     2.043157
 C    -3.699589     2.638218     3.226696
 H    -4.300179     0.618830     2.831316
 C    -1.483996     3.236952     2.524102
 H    -0.344375     1.671348     1.583459
 C    -2.692342     3.592628     3.119058
 H    -4.647740     2.894522     3.691485
 H    -0.680806     3.962475     2.438311
 H    -2.844200     4.599290     3.497867
 C    -2.074957    -0.405576     1.520338
 H    -2.288288    -0.266244     0.456303

 -Cu
 lanl2dz
 F    1 1.00
 3.5250000           1.0
 ****
 -P
 lanl2dz
 D    1 1.00
 0.3870000           1.0
 ****
 -O C H B
 6-31g(d,p)
 ******

 -Cu 1
 lanl2dz
 -P
 lanl2dz








