%chk=000277549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277549

0 1
S 0.801416 -1.136596 -0.008661
O 1.021949 -1.852148 1.236146
O 1.029943 -1.815796 -1.272345
N 4.943480 1.881583 0.031681
C 1.867654 0.289721 0.015340
C -0.780315 -0.447741 -0.003810
C 3.323668 -0.166162 0.003795
C -1.435485 -0.202108 1.208122
C -1.429780 -0.172483 -1.212465
C -3.364709 0.642914 0.003437
C -2.716597 0.347841 1.216430
C -2.710871 0.377547 -1.213350
C -4.729774 1.242596 0.007429
C 4.227905 0.974525 0.019342
H 1.674501 0.925666 0.903227
H 1.670754 0.958094 -0.847542
H 3.532832 -0.795218 -0.901162
H 3.538119 -0.823718 0.886868
H -0.946314 -0.453078 2.156702
H -0.935991 -0.400128 -2.164575
H -3.218710 0.539713 2.163177
H -3.208543 0.592555 -2.157471
H -5.317319 0.960858 -0.878179
H -5.319136 0.945641 0.886806
H -4.672779 2.342821 0.016960


%chk=000277549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277549

0 1
S 0.848943 -1.120790 -0.007438
O 1.092214 -1.900873 1.413729
O 1.103963 -1.850495 -1.453224
N 5.283315 1.787635 0.030208
C 2.056262 0.402568 0.023242
C -0.887939 -0.380412 -0.002567
C 3.482780 -0.176675 0.001432
C -1.512592 -0.165260 1.236174
C -1.506870 -0.138379 -1.239208
C -3.491063 0.645635 0.002551
C -2.825191 0.356412 1.224266
C -2.819661 0.382507 -1.222056
C -4.890958 1.230375 0.005527
C 4.481902 0.903734 0.015220
H 1.814469 0.942777 0.950768
H 1.805864 0.987243 -0.874625
H 3.620675 -0.796934 -0.905072
H 3.634431 -0.832644 0.880073
H -1.003374 -0.428065 2.169578
H -0.992749 -0.380714 -2.175464
H -3.341828 0.531135 2.174859
H -3.332129 0.577335 -2.170999
H -5.459808 0.927643 -0.890470
H -5.460889 0.916128 0.896819
H -4.853868 2.337011 0.012580


