%chk=000185225.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185225

0 1
S 2.259669 1.821438 0.833179
O 3.916677 0.084695 -0.343739
N 1.868640 -0.730578 0.069220
C -0.504444 -0.175555 -0.443069
C 0.482863 -0.687876 0.617303
C -1.942940 -0.247911 0.079895
C -2.939314 0.300027 -0.954148
C 2.332192 -2.015359 -0.531039
C 4.945680 1.169053 -0.388361
C -4.348221 0.210672 -0.433028
C 2.695109 0.348529 0.167915
C 6.233633 0.340678 -0.446097
C 2.938174 -2.935763 0.524545
C 4.685366 1.985763 -1.638364
C -5.147282 -0.901875 -0.737843
C -4.869957 1.237676 0.369291
C 6.723363 -0.052482 0.942849
C -6.453910 -0.982188 -0.248494
C -6.176538 1.152160 0.856175
C -6.971818 0.043362 0.548457
H -0.247999 0.872691 -0.709082
H -0.404739 -0.755486 -1.379355
H 0.451735 -0.030690 1.521761
H 0.206760 -1.709603 0.958602
H -2.210047 -1.291481 0.336467
H -2.034634 0.329568 1.022335
H -2.686098 1.351875 -1.201956
H -2.840666 -0.253929 -1.909138
H 3.088442 -1.789308 -1.321978
H 1.469409 -2.503856 -1.035355
H 4.860491 1.770679 0.543689
H 6.054165 -0.570730 -1.055763
H 7.018110 0.910840 -0.981630
H 3.268396 -3.881273 0.079002
H 2.227350 -3.175518 1.323878
H 3.814662 -2.472547 0.999856
H 4.646474 1.363007 -2.539261
H 3.720692 2.515064 -1.569986
H 5.456144 2.750893 -1.786265
H -4.750612 -1.704162 -1.355708
H -4.255134 2.101865 0.613668
H 6.986800 0.824231 1.546743
H 7.612391 -0.690580 0.885366
H 5.952665 -0.607927 1.493388
H -7.070056 -1.846662 -0.489409
H -6.576487 1.952031 1.477211
H -7.988958 -0.020458 0.927572


%chk=000185225-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185225

0 1
S 2.137515 1.815037 0.803859
O 3.962837 0.091869 -0.352967
N 1.908599 -0.810897 0.019066
C -0.506560 -0.334680 -0.524876
C 0.515639 -0.826413 0.524496
C -1.945590 -0.337843 0.033844
C -2.986499 0.174574 -1.000395
C 2.421591 -2.061929 -0.600180
C 4.942582 1.230688 -0.428336
C -4.399722 0.207270 -0.436742
C 2.677434 0.320191 0.134225
C 6.330368 0.589937 -0.271611
C 3.075229 -3.009308 0.428572
C 4.737258 1.963451 -1.760011
C -5.303156 -0.863737 -0.659519
C -4.831402 1.296642 0.364867
C 6.557635 -0.058547 1.109333
C -6.600098 -0.850653 -0.096518
C -6.126192 1.315685 0.929480
C -7.016240 0.239844 0.701560
H -0.223462 0.692122 -0.825941
H -0.452138 -0.972575 -1.431115
H 0.463388 -0.178330 1.417094
H 0.282839 -1.864425 0.831526
H -2.230562 -1.360003 0.357072
H -1.991886 0.301659 0.937990
H -2.682156 1.188877 -1.326140
H -2.948578 -0.475359 -1.896631
H 3.150310 -1.792838 -1.380663
H 1.562631 -2.557923 -1.089739
H 4.711363 1.903699 0.420026
H 6.472206 -0.159185 -1.075366
H 7.081046 1.386773 -0.443316
H 3.391934 -3.947671 -0.062837
H 2.371393 -3.267845 1.240384
H 3.964306 -2.534425 0.877088
H 4.918863 1.286153 -2.613930
H 3.710269 2.360999 -1.824952
H 5.439363 2.814351 -1.833767
H -4.988852 -1.710837 -1.282645
H -4.147855 2.136936 0.541552
H 6.454304 0.685533 1.920838
H 7.567824 -0.501034 1.179452
H 5.818590 -0.858794 1.289989
H -7.285370 -1.685644 -0.283250
H -6.442768 2.167829 1.541981
H -8.022032 0.253776 1.136453


