%chk=000295490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295490

0 1
S 2.479565 0.973131 -0.848872
O -0.669934 -0.001498 -1.382580
O 1.161454 5.298997 -1.113115
O -0.127209 0.526140 0.789029
N -0.213009 2.161276 -0.904667
N -0.824221 4.906546 -0.081617
C 0.808500 3.040439 -0.277122
C 2.219707 2.763094 -0.798275
C 2.894099 0.549446 0.877946
C 0.414958 4.508547 -0.563625
C 3.036741 -0.937098 0.868147
C -0.268778 0.844126 -0.374778
C -0.976884 -1.386115 -1.016228
C -2.397909 -1.486800 -0.542337
C 4.232224 -1.535904 0.439967
C 1.967535 -1.743006 1.292920
C 4.353967 -2.928049 0.440686
C 2.097163 -3.133180 1.293288
C -2.722396 -1.135022 0.776578
C -3.401425 -1.936732 -1.411766
C 3.289623 -3.728365 0.867861
C -4.041157 -1.242971 1.223518
C -4.719767 -2.045264 -0.959051
C -5.040447 -1.700643 0.357695
H 0.776009 2.878381 0.841272
H 2.362432 3.152290 -1.831114
H 2.982734 3.286435 -0.192171
H -0.233991 2.213166 -1.933539
H 2.077761 0.881193 1.556102
H 3.820145 1.061745 1.195098
H -0.790226 -1.896288 -1.981002
H -0.244163 -1.729419 -0.259530
H 5.063088 -0.918632 0.101944
H 1.034539 -1.273676 1.619827
H -1.160425 5.836265 -0.288256
H -1.515292 4.241035 0.230678
H 5.281738 -3.389963 0.106895
H 1.268790 -3.754964 1.628755
H -1.940287 -0.764687 1.446349
H -3.158957 -2.198404 -2.440493
H 3.389134 -4.811775 0.869887
H -4.290700 -0.969544 2.247470
H -5.497637 -2.396743 -1.634689
H -6.067394 -1.786510 0.708414


%chk=000295490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295490

0 1
S 3.036398 0.945865 -1.108841
O -1.161621 -0.126791 -1.599564
O 1.130098 5.080043 0.055893
O -0.247029 0.161687 0.558115
N -0.092523 1.815438 -1.112491
N -1.011518 4.308909 -0.436908
C 0.848454 2.672118 -0.380170
C 2.277444 2.667432 -0.981429
C 3.293088 0.570990 0.757951
C 0.342090 4.135174 -0.242042
C 3.674077 -0.879344 0.931899
C -0.466722 0.578108 -0.611078
C -1.710790 -1.465456 -1.183755
C -3.109045 -1.343440 -0.618300
C 5.032643 -1.285632 0.894357
C 2.665937 -1.859946 1.128041
C 5.380164 -2.646016 1.053374
C 3.013305 -3.219391 1.289555
C -3.305350 -1.061509 0.759402
C -4.239881 -1.511270 -1.457428
C 4.370971 -3.616771 1.252123
C -4.611450 -0.944920 1.283746
C -5.546967 -1.395882 -0.933267
C -5.734828 -1.112029 0.439612
H 0.889092 2.264829 0.648306
H 2.273088 3.056677 -2.015189
H 2.926235 3.321839 -0.378386
H -0.187061 1.938200 -2.124134
H 2.335234 0.784144 1.258890
H 4.076049 1.258487 1.118119
H -1.693533 -2.037442 -2.124334
H -1.007846 -1.902240 -0.454066
H 5.816440 -0.534228 0.738890
H 1.615883 -1.543586 1.153143
H -1.410536 5.238673 -0.312229
H -1.609627 3.509155 -0.644950
H 6.433331 -2.947792 1.024879
H 2.228579 -3.968211 1.447435
H -2.431197 -0.924652 1.405815
H -4.095260 -1.732769 -2.522177
H 4.639924 -4.671660 1.378760
H -4.754126 -0.729091 2.348480
H -6.414090 -1.530933 -1.589306
H -6.747823 -1.025763 0.848761


