%chk=000240903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240903

0 1
S -0.360074 2.051388 -1.058178
O -1.902160 -2.150058 1.025249
O 3.253662 1.388667 0.564408
N 1.044769 -0.225129 -1.046864
N -1.146438 -0.293780 -0.093814
C 0.473048 -2.095377 0.495556
C 1.170544 -1.689659 -0.813129
C -0.967201 -1.583191 0.516214
C -0.108033 0.444199 -0.711321
C 2.268086 0.502894 -1.477792
C 0.496522 -3.608655 0.676989
C -2.468752 0.340543 -0.031536
C 3.342472 0.427830 -0.455795
C -2.851695 1.012627 1.137513
C -3.326674 0.228855 -1.134725
C 4.446415 -0.367245 -0.264276
C -4.125563 1.584688 1.193307
C -4.595229 0.809911 -1.056925
C 5.095625 0.105241 0.932694
C 4.349475 1.157148 1.398315
C -4.995064 1.484057 0.101957
H 1.000208 -1.613442 1.365135
H 2.242733 -1.986548 -0.776194
H 0.717087 -2.222193 -1.683123
H 2.022404 1.583752 -1.692410
H 2.616642 0.067974 -2.446120
H 0.058601 -4.138469 -0.178762
H 1.515555 -3.984094 0.823124
H -0.096269 -3.906085 1.557816
H -2.168488 1.096015 1.980309
H -3.009373 -0.289997 -2.036565
H 4.793535 -1.177483 -0.874298
H -4.439018 2.113925 2.092234
H -5.273665 0.737366 -1.905852
H 5.993348 -0.305388 1.353147
H 4.397795 1.832779 2.223725
H -5.984732 1.934135 0.153588


%chk=000240903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240903

0 1
S -0.419192 2.283354 -0.955014
O -1.986734 -1.974006 1.266575
O 3.507150 0.644717 0.920569
N 1.043719 -0.022669 -0.719449
N -1.215962 -0.169636 -0.013246
C 0.422764 -1.890813 0.769479
C 1.129909 -1.486748 -0.534091
C -1.022387 -1.384115 0.716114
C -0.159102 0.632612 -0.553152
C 2.240074 0.702120 -1.216722
C 0.473497 -3.408404 1.025161
C -2.585593 0.342979 -0.083407
C 3.489976 0.366938 -0.466932
C -3.164734 0.961366 1.043214
C -3.319914 0.172450 -1.275021
C 4.730442 -0.123262 -0.847619
C -4.495619 1.425131 0.970767
C -4.649887 0.641631 -1.344176
C 5.566826 -0.155573 0.336214
C 4.793282 0.309960 1.384219
C -5.239409 1.268697 -0.222197
H 0.924767 -1.358947 1.604892
H 2.195413 -1.766787 -0.493472
H 0.669438 -2.011933 -1.397944
H 1.991717 1.779099 -1.146921
H 2.403770 0.474143 -2.288375
H 0.057994 -3.969005 0.168124
H 1.514771 -3.738013 1.190295
H -0.128310 -3.666071 1.911108
H -2.577784 1.081276 1.959063
H -2.850638 -0.312594 -2.137401
H 5.017305 -0.420455 -1.854934
H -4.949963 1.909294 1.841921
H -5.223086 0.517234 -2.269344
H 6.602681 -0.483042 0.396111
H 4.964638 0.464450 2.445735
H -6.271724 1.631820 -0.276545


