%chk=000114232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114232

0 1
S 2.934908 0.026510 1.290561
S 3.182101 1.134471 -0.427070
O 1.624969 1.741651 -0.456982
O 4.089215 2.193258 -0.159067
O 3.286401 0.299271 -1.578810
N -0.556497 -1.876770 0.472127
N -2.304407 -0.264010 0.295254
N -2.692305 -2.621788 -0.290573
C 0.347927 -0.773261 0.924151
C 1.780259 -1.281762 0.777231
C -1.910661 -1.495719 0.146793
C -3.627320 0.211018 -0.143539
C -3.608557 1.719007 -0.132300
C -4.590224 2.452195 -0.652069
H 0.127553 -0.445353 1.964489
H 0.175366 0.132114 0.282281
H 1.984958 -1.620143 -0.263226
H 1.985802 -2.156309 1.428120
H -0.527715 -2.675382 1.118856
H -4.417232 -0.150377 0.561236
H -3.909360 -0.159517 -1.155715
H -2.167411 -3.408352 -0.659786
H -3.457461 -2.390020 -0.913915
H -2.731215 2.166448 0.344207
H 1.288263 2.114293 -1.287930
H -4.587688 3.532361 -0.636009
H -5.468069 2.044567 -1.128613


%chk=000114232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114232

0 1
S 3.009666 0.111543 0.787450
S 1.490140 1.651033 -0.524756
O 0.099679 1.613156 0.426158
O 2.197987 3.101390 -0.585522
O 1.230308 0.826065 -1.914453
N -0.543452 -2.043372 1.072985
N -1.715651 -0.213392 0.097123
N -2.673927 -2.370635 0.154260
C 0.651149 -1.282252 1.518598
C 1.787952 -1.283056 0.465910
C -1.630315 -1.507812 0.432271
C -2.966488 0.378369 -0.443812
C -2.853240 1.886849 -0.542993
C -3.235616 2.592605 -1.632695
H 1.003263 -1.729037 2.465428
H 0.351637 -0.243274 1.734336
H 1.395672 -1.128854 -0.558571
H 2.366928 -2.223360 0.473811
H -0.461394 -3.061625 1.062510
H -3.808458 0.112893 0.233375
H -3.191865 -0.033357 -1.450074
H -2.725125 -3.290796 0.583088
H -3.426778 -2.089456 -0.467019
H -2.452912 2.398981 0.340772
H -0.874545 0.485255 0.186029
H -3.166762 3.684753 -1.650795
H -3.606255 2.105787 -2.543710


