%chk=000233056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233056

0 1
S 0.807504 -2.080483 0.474282
O -3.359715 1.567072 0.519543
O 0.286205 -2.709334 -0.732588
O 0.920705 -2.858572 1.693973
N -0.246270 -0.788113 0.888904
C -0.948819 -0.018269 -0.172009
C -0.918264 1.442636 0.228860
C -2.368611 -0.508119 -0.365287
C -2.090017 2.136095 0.561172
C -3.469891 0.277786 -0.003095
C 2.282725 -1.300067 0.077917
C 0.296547 2.140610 0.307167
C -2.627162 -1.776761 -0.908896
C 3.056469 -0.627174 1.038102
C -2.089131 3.481296 0.965376
C -4.797886 -0.156123 -0.140005
C 2.726027 -1.359372 -1.254925
C 0.323261 3.478753 0.702900
C -3.937787 -2.230401 -1.059375
C 4.258034 -0.008805 0.646124
C -0.866568 4.144656 1.033439
C -5.018702 -1.424897 -0.671225
C 4.691149 -0.067431 -0.681583
C 3.912595 -0.751469 -1.639598
C 2.624336 -0.546657 2.460143
C 5.969585 0.578629 -1.097795
H -0.391942 -0.139743 -1.144746
H -0.795429 -0.864420 1.754095
H 1.226270 1.622920 0.063792
H -1.784190 -2.417593 -1.210457
H -3.027191 3.972654 1.213396
H -5.615491 0.493309 0.162647
H 2.124178 -1.898069 -2.000345
H 1.271086 4.009411 0.757619
H -4.121855 -3.218002 -1.478723
H 4.856839 0.513745 1.389266
H -0.835212 5.188979 1.344190
H -6.038557 -1.791573 -0.788457
H 4.246607 -0.805303 -2.673186
H 1.747732 0.113254 2.578265
H 2.323560 -1.536761 2.862461
H 3.404062 -0.164643 3.131148
H 6.429860 1.177709 -0.300572
H 6.712119 -0.176701 -1.400153
H 5.825032 1.246536 -1.960058


%chk=000233056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233056

0 1
S 0.798653 -2.099177 0.148098
O -3.442573 1.601883 0.678226
O 0.322532 -2.520813 -1.363647
O 0.836859 -3.209396 1.339519
N -0.288181 -0.716204 0.814998
C -1.108664 0.007898 -0.237254
C -1.037062 1.495321 0.083093
C -2.545367 -0.496405 -0.302927
C -2.172612 2.202886 0.544012
C -3.618116 0.288096 0.188796
C 2.462947 -1.223734 -0.060728
C 0.182983 2.205217 -0.035108
C -2.844867 -1.783922 -0.819087
C 3.153847 -0.706942 1.061406
C -2.105338 3.569746 0.895463
C -4.945435 -0.193564 0.206012
C 2.946936 -1.172058 -1.378436
C 0.269831 3.570378 0.299916
C -4.165064 -2.276254 -0.818415
C 4.403862 -0.098022 0.776873
C -0.880764 4.252163 0.772953
C -5.216256 -1.480574 -0.296063
C 4.940912 -0.014834 -0.533599
C 4.194289 -0.557257 -1.611088
C 2.618078 -0.767357 2.476364
C 6.300019 0.616330 -0.773058
H -0.605226 -0.199112 -1.202621
H -0.881987 -1.191720 1.525772
H 1.073984 1.664499 -0.376243
H -2.021471 -2.393047 -1.212329
H -3.012021 4.069062 1.249547
H -5.736179 0.450637 0.601695
H 2.353558 -1.605090 -2.190377
H 1.221850 4.101552 0.199533
H -4.375523 -3.273266 -1.218424
H 4.973194 0.322515 1.614950
H -0.822041 5.312614 1.040606
H -6.243517 -1.860465 -0.286913
H 4.587733 -0.502887 -2.632242
H 1.661376 -0.217741 2.547183
H 2.411697 -1.809316 2.778789
H 3.335849 -0.323988 3.185421
H 6.537526 1.375502 -0.008053
H 7.098937 -0.149435 -0.735896
H 6.354609 1.097475 -1.765015


