%chk=000257207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257207

0 1
S -0.862102 -0.109153 -0.835891
O 1.089624 -2.671582 0.125172
O -0.798706 -2.466942 1.291049
O -2.936244 1.858704 0.084714
N -3.764308 0.478362 1.672607
C 0.303908 -0.412419 0.553295
C -0.083984 0.283103 1.867471
C 1.652214 0.049907 0.055055
C -2.523373 -0.519104 -0.210953
C 0.123834 -1.914042 0.724014
C -0.142580 1.800971 1.774263
C 2.819270 -0.626347 0.449063
C 1.763341 1.192023 -0.753952
C -3.357380 -0.836076 -1.438330
C -3.064640 0.718081 0.488086
C 4.072015 -0.184100 0.018895
C 3.020682 1.627143 -1.185522
C 4.176580 0.941690 -0.803898
H -1.056467 -0.111251 2.232291
H 0.658071 -0.005208 2.645475
H -2.474389 -1.410838 0.469484
H -0.839009 2.148658 0.992886
H 0.838235 2.237090 1.547379
H -0.483462 2.238325 2.719898
H 2.755518 -1.512104 1.081847
H 0.882622 1.768070 -1.050030
H -4.388084 -1.099130 -1.161668
H -3.420234 0.017735 -2.132630
H -2.947414 -1.686242 -2.003093
H 4.968778 -0.720399 0.324937
H 3.094831 2.508202 -1.821770
H 5.152732 1.282559 -1.143210
H 0.889442 -3.649498 0.181799
H -3.905893 -0.435345 2.061998
H -4.161330 1.251858 2.183569


%chk=000257207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257207

0 1
S -1.027087 0.225733 -0.893112
O 0.772892 -2.538748 0.059735
O -0.909924 -2.138263 1.580918
O -4.040269 1.267929 0.601885
N -3.350373 -0.489251 1.966311
C 0.234595 -0.196240 0.546544
C -0.064273 0.639954 1.827462
C 1.655674 0.092369 0.034877
C -2.717653 -0.552602 -0.410528
C -0.024435 -1.681291 0.805543
C 0.009483 2.164805 1.624433
C 2.748726 -0.397545 0.798778
C 1.930105 0.902643 -1.091832
C -3.568824 -0.447573 -1.689660
C -3.416109 0.177339 0.756273
C 4.077772 -0.097622 0.437886
C 3.262910 1.203404 -1.457036
C 4.342439 0.705797 -0.696048
H -1.056945 0.362590 2.216726
H 0.676484 0.331480 2.593880
H -2.525617 -1.607768 -0.153878
H -0.745019 2.500177 0.891770
H 1.005154 2.484385 1.270117
H -0.193779 2.677245 2.581896
H 2.563552 -1.029853 1.675782
H 1.110336 1.306478 -1.694494
H -4.534773 -0.960118 -1.529139
H -3.786624 0.608845 -1.917991
H -3.058405 -0.917196 -2.547826
H 4.905672 -0.492014 1.037614
H 3.452612 1.829069 -2.336228
H 5.374601 0.939318 -0.979647
H 0.487567 -3.478122 0.230793
H -2.722515 -1.290837 2.089931
H -3.815852 -0.071816 2.772565


