%chk=000218773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218773

0 1
S -7.979913 -0.536362 -1.134198
S -8.642830 -0.379963 0.806692
O 0.608707 1.286175 -0.163581
O 7.763309 -1.341311 0.388352
O -7.430318 -1.293258 1.524282
O -8.474377 0.954602 1.267374
O -9.838920 -1.134884 0.972343
N -4.120370 0.654981 -0.664699
N 2.318433 -0.316406 -0.094388
C -1.678957 0.908243 -0.430959
C -2.844467 -0.090549 -0.432061
C -0.344895 0.176376 -0.337883
C 4.636710 0.494334 0.190056
C -5.313434 -0.243520 -0.567201
C 4.147434 1.859953 0.227179
C 3.688390 -0.556349 0.027850
C 1.928209 0.960575 -0.053094
C 2.800960 2.092282 0.106404
C -6.502277 0.528773 -1.135273
C 6.010530 0.163124 0.307293
C 4.125137 -1.918903 -0.015135
C 5.104204 2.990823 0.394667
C 6.397888 -1.166939 0.261600
C 5.458779 -2.225122 0.099571
C 8.281239 -2.691123 0.351866
H -1.767760 1.627895 0.408719
H -1.707805 1.533590 -1.349361
H -2.847527 -0.678906 0.511807
H -2.720531 -0.818111 -1.266677
H -0.074000 -0.371499 -1.256129
H -0.261065 -0.488510 0.538336
H -4.207373 1.416293 0.019608
H -5.519525 -0.590639 0.473747
H -5.125207 -1.161220 -1.171028
H 2.363301 3.086899 0.124422
H -6.693395 1.474168 -0.585525
H -6.316387 0.822223 -2.192831
H 6.762974 0.938718 0.432291
H 3.370124 -2.697793 -0.141086
H 5.665386 2.903172 1.338051
H 5.841524 3.014654 -0.422943
H 4.607553 3.970934 0.406900
H 5.793361 -3.258533 0.067189
H 9.359329 -2.518184 0.471432
H 8.066620 -3.157202 -0.613854
H 7.885742 -3.275256 1.187477
H -7.701515 -1.956042 2.181196


%chk=000218773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218773

0 1
S -7.941956 -0.741666 -1.445987
S -9.062753 -0.183791 0.702280
O 0.681646 1.393894 -0.064636
O 7.933895 -1.336445 0.272235
O -8.767547 -1.819294 1.543934
O -8.135979 0.934078 1.433400
O -10.663663 0.045417 0.654859
N -4.089415 0.398282 -0.476854
N 2.413552 -0.212602 -0.011969
C -1.661954 0.875093 -0.272972
C -2.751609 -0.210703 -0.377570
C -0.265305 0.258467 -0.171233
C 4.771953 0.583308 0.153230
C -5.238875 -0.499944 -0.638424
C 4.303324 1.959800 0.172479
C 3.780150 -0.469737 0.060220
C 2.034535 1.066699 0.007958
C 2.931358 2.185307 0.099348
C -6.448993 0.329569 -1.107800
C 6.149647 0.233355 0.221622
C 4.215488 -1.826862 0.040799
C 5.280498 3.111560 0.268939
C 6.548716 -1.112467 0.199641
C 5.573999 -2.155071 0.108617
C 8.405015 -2.723343 0.255107
H -1.841408 1.505587 0.620407
H -1.715094 1.535607 -1.157042
H -2.672408 -0.906139 0.494784
H -2.587339 -0.824542 -1.285859
H -0.006867 -0.345233 -1.061721
H -0.153272 -0.389446 0.718932
H -4.248207 1.156999 0.198516
H -5.516437 -1.056175 0.287044
H -4.980461 -1.256133 -1.404217
H 2.512699 3.195165 0.108572
H -6.746600 1.055452 -0.321303
H -6.229652 0.896757 -2.031006
H 6.925334 1.001124 0.292944
H 3.449707 -2.605360 -0.029375
H 5.884624 3.048445 1.193713
H 5.989131 3.108404 -0.580707
H 4.754264 4.080097 0.270696
H 5.877179 -3.206096 0.091277
H 9.500563 -2.652689 0.321933
H 8.122598 -3.235360 -0.685333
H 8.016218 -3.293805 1.120994
H -9.457304 -1.903361 2.268325


