%chk=000193041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193041

0 1
S 0.561807 2.337606 0.609176
O 0.513423 3.256156 -0.496185
O 0.794514 2.843773 1.950848
O 4.194359 -2.139744 -0.311352
O -1.053089 0.537375 -1.178676
N -3.044290 0.603882 0.000463
N -1.043761 1.652586 0.817615
C -3.704671 -1.811227 -0.280139
C -3.685103 -0.401186 -0.886477
C -4.726525 -1.958538 0.854257
C 1.589336 1.019437 0.291329
C -4.750029 -3.381146 1.407993
C -1.678505 0.887391 -0.184400
C 1.676917 0.476552 -0.998316
C 2.375286 0.487115 1.332415
C 2.538792 -0.587578 -1.266140
C 3.236911 -0.570615 1.096527
C 3.310255 -1.102706 -0.214020
C 4.373087 -2.773594 -1.604935
H -2.692490 -2.083674 0.079809
H -3.931051 -2.542027 -1.082747
H -4.717316 -0.043099 -1.100913
H -3.139302 -0.415669 -1.862697
H -4.495374 -1.247804 1.670907
H -5.736462 -1.683878 0.489704
H -3.466434 0.704990 0.919050
H -3.773539 -3.676570 1.809175
H -5.480092 -3.478689 2.219837
H -5.020447 -4.111928 0.636876
H -1.581437 1.948823 1.641965
H 1.053845 0.884876 -1.809918
H 2.307326 0.920599 2.339323
H 2.592420 -0.998231 -2.268933
H 3.855297 -0.997432 1.883028
H 4.763142 -2.052335 -2.329042
H 5.121002 -3.543948 -1.373268
H 3.433998 -3.224343 -1.938740


%chk=000193041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193041

0 1
S 0.508739 2.309057 0.503581
O 0.409742 3.239010 -0.814042
O 0.786544 2.961134 1.969368
O 4.584559 -2.073003 -0.247598
O -1.237410 0.436729 -1.262789
N -3.138742 0.523678 0.106074
N -1.114361 1.477355 0.830265
C -4.101768 -1.769463 -0.368281
C -3.969929 -0.290729 -0.801152
C -4.825080 -1.968354 0.983149
C 1.721640 0.912814 0.224252
C -4.979138 -3.457938 1.359761
C -1.808838 0.793037 -0.188360
C 1.837140 0.355014 -1.056941
C 2.509577 0.521547 1.324093
C 2.798963 -0.658612 -1.252618
C 3.463614 -0.489126 1.121055
C 3.607812 -1.080269 -0.163376
C 4.795998 -2.722754 -1.547172
H -3.091643 -2.221373 -0.325052
H -4.658734 -2.308638 -1.162002
H -4.972206 0.176210 -0.866837
H -3.496914 -0.229359 -1.796013
H -4.261848 -1.448447 1.785173
H -5.826569 -1.492003 0.936764
H -3.540903 0.834507 0.990528
H -3.991264 -3.949590 1.435287
H -5.493876 -3.580091 2.330220
H -5.565613 -4.000432 0.594571
H -1.552867 1.869278 1.672502
H 1.182775 0.687027 -1.866883
H 2.387101 1.009716 2.295885
H 2.900642 -1.109026 -2.243290
H 4.108827 -0.833520 1.933820
H 5.114472 -1.989824 -2.312638
H 5.599800 -3.452021 -1.372613
H 3.881558 -3.246344 -1.885295


