%chk=000257187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257187

0 1
S -3.957981 0.279661 -0.516377
S -6.148393 -0.695014 1.120768
O 0.605980 0.480260 2.422057
O 0.057047 0.870074 -2.345010
O 3.028660 3.451733 -0.049741
O -3.744733 -1.809371 1.115851
N 1.805223 1.936510 1.185393
N 1.515922 2.137634 -1.189892
C 0.171624 0.373172 0.033159
C 0.596949 -1.107084 -0.130670
C 2.110345 -1.291318 -0.277127
C -1.357068 0.512416 0.274420
C 2.486502 -2.781331 -0.454459
C 0.842129 0.895857 1.312203
C 0.536552 1.108476 -1.258756
C -2.211325 -0.119697 -0.811672
C 2.268887 -3.568667 0.842162
C 3.945633 -2.896488 -0.913394
C 2.189839 2.580219 -0.019729
C -4.437861 -0.948036 0.675919
H 0.227977 -1.682893 0.747330
H 0.079547 -1.537863 -1.014013
H 2.483487 -0.718792 -1.148655
H 2.642808 -0.885493 0.604640
H -1.607052 1.589281 0.389920
H -1.594603 0.041260 1.260312
H 1.833960 -3.220766 -1.250294
H -1.960942 0.267696 -1.828512
H -2.071457 -1.220002 -0.856207
H 1.227150 -3.519804 1.178029
H 2.891780 -3.187947 1.659531
H 2.519236 -4.627313 0.710688
H 4.638275 -2.462500 -0.183908
H 4.235572 -3.945015 -1.047761
H 4.111428 -2.389451 -1.869806
H 2.268977 2.264102 2.050279
H 1.769005 2.613776 -2.072996
H -6.252679 -1.723780 1.998319


%chk=000257187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257187

0 1
S -4.011923 0.349692 -0.487232
S -6.033441 -0.917852 1.390219
O 0.803355 0.434957 2.378359
O 0.304029 0.739057 -2.456895
O 2.665730 3.929303 -0.050632
O -3.444820 -1.819897 1.111392
N 1.697413 2.159088 1.131443
N 1.426769 2.319910 -1.208856
C 0.272050 0.421286 -0.019914
C 0.621472 -1.098412 -0.143124
C 2.135662 -1.384932 -0.250921
C -1.283183 0.625191 0.218173
C 2.467099 -2.885859 -0.476507
C 0.941303 0.977959 1.253100
C 0.664278 1.142694 -1.318750
C -2.185285 -0.011514 -0.851978
C 2.011249 -3.768566 0.710782
C 3.982161 -3.062989 -0.735117
C 1.977845 2.880048 -0.041730
C -4.294099 -0.983697 0.752477
H 0.194921 -1.601400 0.742382
H 0.116205 -1.491355 -1.043751
H 2.561222 -0.805884 -1.097239
H 2.653326 -1.045417 0.670346
H -1.500073 1.709088 0.287780
H -1.505269 0.175910 1.202813
H 1.921547 -3.218823 -1.385674
H -2.010859 0.388151 -1.862238
H -2.093042 -1.107699 -0.870271
H 0.916932 -3.737594 0.859285
H 2.490704 -3.434554 1.651298
H 2.294307 -4.824113 0.543204
H 4.570037 -2.737072 0.144838
H 4.231259 -4.121972 -0.931953
H 4.316058 -2.467731 -1.605741
H 2.103272 2.539252 1.993311
H 1.641740 2.815227 -2.081035
H -5.873552 -2.015982 2.220356


