%mem=16GB
%chk=R2a-2.chk
#p opt freq wb97xd/genecp scrf=(smd,solvent=thf)

Title Card Required

0 1
 C                  0.75917100   -0.87362000   -1.14016500
 H                 -0.07696788   -1.35035166   -1.66959866
 H                  1.30500630   -0.28283140   -1.88320984
 C                  0.19450900    0.04776500   -0.02698900
 H                  0.51082500   -0.34903700    0.94376200
 B                  1.64770237   -2.00318251   -0.51714634
 O                  1.10110789   -2.96344473    0.29581805
 O                  3.00442977   -2.13269500   -0.65242089
 C                 -1.88286184   -1.91061966    1.38716510
 B                  0.76247700    1.51259500   -0.16988400
 O                  1.66823800    2.08350600    0.68401300
 O                  0.37404600    2.34937100   -1.18354100
 C                  2.03577200    3.37044400    0.12526700
 C                  0.83923700    3.67559000   -0.84452300
 C                  2.19605200    4.36557900    1.26361100
 H                  2.37746400    5.37084400    0.87056900
 H                  1.30573700    4.39049100    1.89621100
 H                  3.05090500    4.08390700    1.88552500
 C                  3.36161300    3.17409600   -0.60665000
 H                  3.72631000    4.11555900   -1.02722600
 H                  4.10801900    2.79963400    0.09927700
 H                  3.26147000    2.44284900   -1.41395000
 C                  1.22840900    4.40459400   -2.12079600
 H                  1.66804500    5.37904300   -1.88599200
 H                  1.94578800    3.82921300   -2.70904100
 H                  0.33922300    4.57275000   -2.73541900
 C                 -0.32498100    4.39479200   -0.16216700
 H                 -0.07168000    5.43685900    0.05383900
 H                 -1.19034100    4.38381600   -0.83096100
 H                 -0.61554300    3.90545800    0.77085500
 C                 -1.35201700    0.10142300   -0.06893900
 H                 -1.63026700    0.36950100   -1.09177400
 H                 -2.34220872   -2.88014751    1.54223225
 C                 -1.94451300    1.16672000    0.84565600
 C                 -3.05328100    1.90295900    0.41875300
 C                 -1.41022900    1.43893500    2.10922600
 C                 -3.59886000    2.90238100    1.21894400
 H                 -3.47681800    1.70091200   -0.56186200
 C                 -1.95441600    2.43746800    2.91289500
 H                 -0.55000100    0.88120200    2.46540900
 C                 -3.04890600    3.17542300    2.46963400
 H                 -4.45088800    3.47348500    0.86209900
 H                 -1.51897800    2.63918400    3.88701700
 H                 -3.47050600    3.95824100    3.09289400
 C                 -1.98861100   -1.24482500    0.23698400
 C                 -2.76265936   -1.91146419   -0.85713953
 C                 -2.15020752   -2.90926906   -1.62143981
 C                 -4.08662067   -1.55615290   -1.13271063
 C                 -2.84568255   -3.53577336   -2.65158077
 H                 -1.12062313   -3.18293973   -1.40747061
 C                 -4.78043766   -2.18410995   -2.16421353
 H                 -4.57903496   -0.78403344   -0.54838950
 C                 -4.16341957   -3.17357303   -2.92546381
 H                 -2.35966733   -4.30959259   -3.23807272
 H                 -5.80764123   -1.89699220   -2.36947466
 H                 -4.70657225   -3.66248813   -3.72853363
 C                  2.12781223   -3.93619254    0.58393709
 C                  3.43953823   -3.11854257    0.31747768
 C                  1.92259984   -5.09499866   -0.39073100
 H                  0.90712245   -5.48270376   -0.26691171
 H                  2.03729259   -4.76896643   -1.42898355
 H                  2.62688915   -5.90966048   -0.19964629
 C                  1.96037972   -4.41698605    2.01642120
 H                  2.78291915   -5.08316309    2.29604931
 H                  1.93028847   -3.58124806    2.71923557
 H                  1.02394758   -4.97468002    2.11068463
 C                  4.58048180   -3.93006886   -0.27361584
 H                  5.44777146   -3.28392318   -0.43771680
 H                  4.87628993   -4.72700428    0.41620230
 H                  4.30130405   -4.37974311   -1.22874537
 C                  3.92332060   -2.34433187    1.54170423
 H                  4.28695880   -3.01824697    2.32254668
 H                  4.74670947   -1.69065561    1.24293305
 H                  3.12865346   -1.71633212    1.95580620
 I                 -0.84432988   -1.27037584    3.10344287
 
 -I 1
 lanl2dz
 D    1 1.00
 0.2890000           1.0
 ****
 -O C H B
 6-31g(d,p)
 ******

 -I 1
 lanl2dz
 













