%chk=000207989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207989

0 1
S 4.203949 -1.653362 -0.294177
P 5.017476 0.039556 0.548188
O -3.646588 2.157786 -1.165519
O -3.377029 -1.909083 0.990614
O 6.136556 -0.605198 1.579390
O 5.956766 0.547085 -0.706514
O 4.143387 1.059872 1.165171
N -3.245101 0.045535 -0.272222
N 0.437109 -0.230032 -0.979579
C -2.001862 -0.259810 -1.020096
C -5.164145 1.207419 0.522030
C -5.078288 -0.150093 1.231660
C -0.767492 -0.084235 -0.109767
C -3.967952 1.271324 -0.416008
C -3.829422 -0.833847 0.692548
C 1.677363 -0.500509 -0.184512
C 2.742711 -0.968124 -1.173887
H -1.947332 0.413737 -1.907092
H -2.049655 -1.308057 -1.397245
H -5.139581 2.057063 1.231935
H -6.105037 1.325265 -0.050423
H -5.969177 -0.780826 1.043790
H -5.013195 -0.047679 2.332310
H -0.808801 0.887469 0.426758
H -0.770790 -0.880954 0.669432
H 0.564489 0.627403 -1.531335
H 1.462454 -1.302892 0.559198
H 2.017181 0.389503 0.398916
H 3.035792 -0.176547 -1.888445
H 2.358649 -1.812392 -1.791130
H 6.067479 -0.336237 2.534842
H 6.476685 1.384862 -0.590328


%chk=000207989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207989

0 1
S 4.253157 -1.830992 -0.290212
P 5.263541 0.180666 -0.035196
O -3.448519 2.517618 -0.387674
O -3.615706 -2.117626 0.278963
O 5.711946 0.429024 1.629936
O 6.850693 -0.186660 -0.575290
O 4.470570 1.399360 -0.685478
N -3.275016 0.168265 -0.208669
N 0.450345 -0.158900 -0.742187
C -1.999502 0.018372 -0.927484
C -5.206928 1.162366 0.775201
C -5.263334 -0.369041 0.993326
C -0.795128 -0.065272 0.040616
C -3.905683 1.418636 0.006054
C -3.991035 -0.922840 0.340633
C 1.650251 -0.647471 -0.039106
C 2.655728 -1.159857 -1.083612
H -1.897503 0.894707 -1.592897
H -2.039022 -0.901981 -1.533461
H -5.186848 1.737053 1.716915
H -6.052997 1.548683 0.181509
H -6.141096 -0.843041 0.521666
H -5.275383 -0.658445 2.058025
H -0.824297 0.806763 0.736279
H -0.891806 -0.982743 0.649268
H 0.641368 0.697021 -1.279510
H 1.351914 -1.479132 0.625262
H 2.141419 0.126642 0.597561
H 2.951525 -0.361965 -1.785212
H 2.245647 -2.013036 -1.648306
H 5.025312 0.870477 2.191566
H 7.562988 0.297351 -0.079981


