%chk=000295251.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295251

0 1
S 6.108650 0.350758 0.391461
O -0.677146 0.927109 -0.078857
N 0.332641 -1.143985 0.239835
N -2.022960 -0.959092 0.125902
C 1.701058 -0.727099 0.248673
C -3.307905 -0.336377 -0.012876
C 2.671726 -1.745468 0.381823
C 2.089063 0.619537 0.135745
C 4.403547 -0.064422 0.285743
C 4.024114 -1.404292 0.397492
C 3.445597 0.944574 0.158227
C -0.782221 -0.273009 0.080548
C -4.432823 -1.185450 0.062535
C -3.467986 1.043976 -0.215053
C -5.709334 -0.637283 -0.066453
C -4.755606 1.568048 -0.341061
C -5.877533 0.736422 -0.268182
C 6.565708 0.592622 -1.343652
H 2.380756 -2.788303 0.471937
H 1.337846 1.410854 0.033282
H 0.176950 -2.146305 0.355762
H 4.778453 -2.187437 0.499578
H 3.748997 1.991061 0.079023
H -2.038229 -1.969061 0.271582
H -4.319497 -2.254250 0.219018
H -2.597820 1.706381 -0.273518
H -6.581384 -1.288568 -0.008870
H -4.882452 2.639846 -0.497963
H -6.875778 1.155585 -0.367602
H 5.993927 1.404057 -1.805262
H 6.420311 -0.318640 -1.932543
H 7.630231 0.858613 -1.371775


%chk=000295251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295251

0 1
S 6.288710 0.306330 0.444637
O -0.708071 1.153241 -0.039962
N 0.317738 -0.959078 0.199104
N -2.006675 -0.813998 0.068588
C 1.692847 -0.599434 0.238078
C -3.327095 -0.288615 -0.035815
C 2.633970 -1.657021 0.378916
C 2.157816 0.741079 0.151041
C 4.481412 -0.052523 0.334924
C 4.015277 -1.385153 0.426488
C 3.543970 0.998149 0.204420
C -0.793979 -0.103593 0.067024
C -4.396104 -1.226549 -0.016028
C -3.612936 1.098062 -0.153583
C -5.731805 -0.787921 -0.111478
C -4.956987 1.519447 -0.248289
C -6.022944 0.591268 -0.228464
C 6.708169 0.380980 -1.402704
H 2.286009 -2.695984 0.454133
H 1.437430 1.554093 0.051396
H 0.140847 -1.962401 0.282910
H 4.733309 -2.203617 0.540643
H 3.900938 2.032328 0.153295
H -1.964006 -1.831787 0.154374
H -4.181867 -2.300181 0.074764
H -2.791088 1.815159 -0.169355
H -6.543389 -1.523755 -0.094221
H -5.168825 2.590844 -0.338699
H -7.060309 0.933946 -0.302543
H 6.123208 1.176829 -1.888286
H 6.501743 -0.591468 -1.875090
H 7.783586 0.611724 -1.465718


