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new.gjf
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%chk=test.chk
%nprocshared=28
%mem=64GB
#p sp counterpoise=2 genecp nosymm um06l
Title Card Required
-2 1
In 0 18.104677 9.123895 16.952648
O 0 18.232994 6.783362 17.016265
O 0 16.347039 7.797061 16.483075
O 0 18.689106 9.041615 6.798524
O 0 20.601939 8.057910 7.291676
O 0 19.489041 9.093279 18.743413
O 0 18.408872 9.345133 14.628943
O 0 20.121897 9.123498 15.994723
C 0 19.650639 9.299641 14.831874
C 0 21.985934 9.428386 14.050253
H 0 22.262021 9.253170 15.090975
C 0 20.625137 9.471574 13.728696
C 0 20.224519 9.693894 12.410066
H 0 21.456171 9.915877 2.651461
C 0 23.476160 9.628543 1.885532
C -1 24.831848 9.619374 2.221909
H 0 25.574374 9.387255 1.451806
C -1 22.938938 9.612505 13.060066
C 0 16.681335 5.489807 6.292605
C 0 14.284861 4.281820 15.992469
C 0 17.358682 6.694894 6.403151
C -1 14.973541 3.086704 16.174159
H 0 16.877374 7.654880 6.209975
H 0 14.445016 2.137350 16.038478
C 0 18.702264 6.703967 6.794862
C -1 16.320602 3.067261 16.519975
C 0 19.370684 5.513539 7.071579
C 0 17.002319 4.262885 16.691863
H 0 20.416188 5.564514 7.382295
H 0 18.059697 4.304311 16.961007
C -1 18.683193 4.310493 6.965589
C 0 16.318102 5.462794 16.510680
C -1 17.355837 4.305653 6.583556
C 0 14.964379 5.478797 16.161056
H 0 16.821741 3.352681 6.510876
H 0 14.483727 6.449107 16.027708
C 0 19.383581 8.008429 6.964766
C 0 17.017918 6.752845 16.682247
O 0 17.332919 9.170966 19.216980
C 0 18.540297 9.212558 19.564478
H 0 16.873738 9.641622 21.632510
C 0 18.905045 9.475596 20.981605
C 0 20.260495 9.558560 21.318216
H 0 20.993302 9.375578 20.530561
In 0 20.401570 10.392065 7.420929
O 0 20.532062 12.732316 7.474758
O 0 18.608378 11.718747 7.100838
O 0 16.306714 10.474933 16.651026
O 0 18.230415 11.459268 17.098188
O 0 19.628838 10.087968 9.616242
O 0 21.775579 10.326546 9.187610
O 0 20.725839 10.410390 5.022526
O 0 22.423980 10.482350 6.434001
C 0 21.956918 10.387553 5.265249
C 0 20.828009 10.115031 10.000986
C 0 24.302215 10.182570 4.490237
H 0 24.584348 10.385810 5.524375
C 0 22.942875 10.180535 4.170223
C 0 22.527997 9.912985 2.863027
H 0 19.162973 9.725412 12.155920
C 0 21.190054 9.881785 11.419213
C 0 22.549010 9.842699 11.748870
C -1 25.242573 9.905261 3.507654
C 0 16.576470 15.236329 6.488477
C 0 14.337230 14.024455 15.993476
C -1 17.277085 16.431054 6.621856
C 0 14.979995 12.818847 16.232027
H 0 16.755230 17.379766 6.458592
H 0 14.476072 11.857184 16.123565
C -1 18.624214 16.450568 6.967402
C 0 16.328036 12.811628 16.608431
C 0 19.296899 15.254530 7.172873
C 0 17.031865 14.004193 16.755500
H 0 20.355168 15.213224 7.438619
H 0 18.084302 13.955432 17.042139
C 0 18.602096 14.054490 7.035026
C -1 16.379633 15.207505 16.518069
C 0 17.244851 14.039584 6.699187
C -1 15.052314 15.212002 16.135944
H 0 16.752213 13.070123 6.610476
H 0 14.552721 16.166349 15.940404
C 0 17.002318 11.508198 16.807573
C 0 19.297301 12.763342 7.222943
C -1 19.635420 10.137775 23.558086
H 0 19.926108 10.409973 24.578402
C -1 18.292403 10.043599 23.241139
C 0 17.919270 9.709978 21.941379
C 0 20.628828 9.890005 22.613576
H 0 17.532731 10.240841 24.002490
H 0 21.683091 9.968838 22.891743
H 0 16.918748 16.153696 16.620475
H 0 13.287937 14.046416 15.687715
H 0 16.834055 2.110693 16.651413
H 0 19.187937 3.367128 7.192562
H 0 15.629707 5.465734 5.995126
H 0 13.227210 4.272303 15.716584
H 0 15.516101 15.245897 6.223202
H 0 23.165106 9.403421 0.861584
H 0 26.308056 9.898502 3.755327
H 0 24.002781 9.579268 13.314285
H 0 23.275590 9.994689 10.949356
H 0 19.145353 17.406311 7.071526
H O C 0
def2svp
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In 0
def2svp
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In 0
def2svp