%chk=000290028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290028

0 1
S -0.014481 2.393106 0.001809
O 0.082831 1.792740 -1.312700
O 0.464388 3.737857 0.215118
O 4.336002 1.192856 0.553858
O -4.173945 0.695853 -1.530198
N 3.100851 1.644414 0.987870
N -3.428694 1.718713 -0.966916
C 0.751741 1.302150 1.180105
C -1.715460 2.401959 0.536783
C 2.102933 0.852825 0.707051
C -2.528004 1.325268 -0.110329
C 2.176311 -0.457110 0.005327
C -2.242353 -0.074172 0.304229
C 1.896681 -0.541257 -1.365024
C -2.846114 -0.599238 1.455194
C 2.543714 -1.603282 0.725763
C -1.377621 -0.863112 -0.467005
C 1.983256 -1.777054 -2.012638
C -2.571229 -1.914477 1.839587
C 2.624680 -2.835027 0.071128
C -1.102986 -2.174894 -0.071821
C 2.345845 -2.922622 -1.297307
C -1.698462 -2.700708 1.079359
H 0.849142 1.803061 2.171317
H 0.123887 0.403473 1.382946
H -1.816585 2.336616 1.638969
H -2.157174 3.408789 0.314095
H 1.600318 0.357626 -1.922142
H -3.536237 0.008879 2.037364
H 2.774210 -1.530982 1.787268
H -0.915781 -0.444662 -1.369496
H 1.771160 -1.842554 -3.079116
H -3.042166 -2.329103 2.729505
H 2.913051 -3.725800 0.626098
H -0.417331 -2.784111 -0.663105
H 2.417807 -3.882185 -1.806461
H -1.485542 -3.724944 1.382209
H 4.949205 1.968767 0.798016
H -4.765248 1.194643 -2.192009


%chk=000290028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290028

0 1
S 0.068263 1.469358 -0.727922
O -0.323290 0.905067 -2.215744
O 1.236258 2.594800 -0.550304
O 3.505458 0.367046 2.406057
O -4.626473 1.084241 -1.559264
N 2.127037 0.319049 1.965530
N -3.478057 1.906593 -1.237754
C 0.514676 -0.181478 0.392873
C -1.608864 2.291102 0.102126
C 1.961740 -0.200928 0.745182
C -2.798927 1.454774 -0.184131
C 2.956304 -0.739258 -0.217458
C -3.067905 0.236325 0.634946
C 2.597889 -0.847207 -1.595058
C -2.883657 0.282688 2.045427
C 4.253568 -1.179839 0.181870
C -3.462608 -0.991662 0.035661
C 3.505885 -1.371409 -2.536631
C -3.093860 -0.865522 2.838243
C 5.149136 -1.718228 -0.764380
C -3.655523 -2.141774 0.829907
C 4.784512 -1.814219 -2.126936
C -3.475144 -2.084855 2.231606
H -0.129006 -0.048487 1.272897
H 0.162828 -0.974303 -0.280327
H -1.296310 2.371180 1.151937
H -1.607610 3.259635 -0.418913
H 1.622519 -0.497873 -1.955247
H -2.604128 1.224453 2.532332
H 4.552731 -1.097985 1.226931
H -3.613440 -1.038236 -1.045087
H 3.214464 -1.428148 -3.590845
H -2.961040 -0.808726 3.923974
H 6.138260 -2.057299 -0.436931
H -3.951030 -3.083265 0.354266
H 5.487538 -2.225297 -2.860056
H -3.632169 -2.979097 2.844573
H 3.432220 0.844860 3.272799
H -5.029644 1.576226 -2.321448


