%chk=000195125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195125

0 1
S -0.744865 -2.638809 -0.561803
O 1.487222 0.770096 1.396864
O -3.440461 -3.774530 -0.762125
N -4.652770 -2.071962 0.110118
C 0.021507 0.842184 1.256697
C -0.571971 -0.393375 0.659892
C 0.219223 -1.337214 0.029273
C 1.647180 -1.200957 -0.062176
C -0.271310 2.080544 0.436967
C 2.215878 -0.108628 0.640786
C -1.963433 -0.722159 0.649682
C -2.211949 -1.912724 0.015628
C 2.506227 -2.061863 -0.766813
C 3.604880 0.118142 0.654983
C -0.846878 3.198630 1.056414
C 0.035711 2.119420 -0.930347
C 3.881074 -1.840159 -0.760510
C 4.425032 -0.757057 -0.048542
C -1.122284 4.346049 0.306918
C -0.238060 3.269926 -1.674608
C -3.442199 -2.664829 -0.249347
C -0.818882 4.382963 -1.057865
H -0.267068 0.963421 2.330540
H -2.711072 -0.081470 1.097504
H 2.092605 -2.906880 -1.319061
H 4.005208 0.963998 1.209955
H -1.075415 3.182015 2.120715
H 0.489708 1.251043 -1.409525
H 4.541885 -2.509518 -1.307429
H 5.504755 -0.599976 -0.051019
H -1.569752 5.213858 0.788614
H 0.002321 3.298776 -2.736397
H -1.032213 5.278353 -1.639361
H -4.728984 -1.147619 0.486836
H -5.515847 -2.558789 -0.078557


%chk=000195125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195125

0 1
S -0.710425 -2.727954 -0.698110
O 1.292587 0.659297 1.661724
O -3.460227 -3.902915 -1.051069
N -4.683404 -2.347619 0.166349
C -0.163913 0.827888 1.281831
C -0.697412 -0.448198 0.667519
C 0.168115 -1.323357 0.004709
C 1.603539 -1.108021 -0.049906
C -0.319184 2.075587 0.414222
C 2.120065 -0.078358 0.799926
C -2.065167 -0.863168 0.626226
C -2.268225 -2.057687 -0.064883
C 2.514995 -1.859322 -0.837599
C 3.505596 0.172564 0.870366
C -0.361627 3.345261 1.045102
C -0.379474 2.005180 -0.999687
C 3.899055 -1.607002 -0.775612
C 4.392658 -0.592563 0.083330
C -0.459735 4.526006 0.278345
C -0.474238 3.186034 -1.769141
C -3.493336 -2.837231 -0.356150
C -0.515160 4.448434 -1.133510
H -0.627598 1.012455 2.267185
H -2.871748 -0.282587 1.084459
H 2.129695 -2.645210 -1.498409
H 3.865783 0.961215 1.537482
H -0.306685 3.405060 2.139290
H -0.360609 1.029357 -1.496916
H 4.590862 -2.192902 -1.388960
H 5.468409 -0.393124 0.135606
H -0.493442 5.501348 0.776307
H -0.518276 3.121726 -2.862004
H -0.592307 5.363336 -1.731630
H -4.741349 -1.508016 0.737741
H -5.532814 -2.874616 -0.031231


