%chk=000188890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188890

0 1
S -2.309234 -1.796025 1.059508
O -3.306195 0.276486 -0.306773
N -1.088747 0.368304 0.036203
C 2.262252 -1.545722 -0.087045
C 0.852132 -1.100099 -0.525055
C 0.230349 -0.143288 0.503144
C 3.217882 -0.368927 -0.038028
C 2.798311 -2.635666 -1.022969
C -4.658834 -0.347057 -0.169298
C 3.787899 0.011531 1.186597
C 3.540948 0.351436 -1.198364
C -2.232126 -0.343553 0.227967
C -1.073750 1.630820 -0.740485
C -5.561198 0.882615 -0.317585
C -4.805171 -1.352714 -1.293769
C 4.667185 1.096251 1.248312
C 4.420412 1.434971 -1.133318
C 4.985037 1.811215 0.089736
C -5.749143 1.616635 1.005039
H 2.178175 -1.992487 0.939002
H 0.888577 -0.628809 -1.524094
H 0.202784 -1.995064 -0.638189
H 0.899708 0.727930 0.686841
H 0.101161 -0.660699 1.485879
H 2.173884 -3.535815 -0.981066
H 2.830144 -2.305904 -2.066870
H 3.817573 -2.927995 -0.742833
H -4.728393 -0.814404 0.837926
H 3.550712 -0.540432 2.094432
H 3.109263 0.061751 -2.154231
H -0.819876 2.479424 -0.081936
H -2.063398 1.835807 -1.191413
H -0.331650 1.579398 -1.554727
H -6.543242 0.573858 -0.727168
H -5.122432 1.569405 -1.072319
H -5.809893 -1.790046 -1.314049
H -4.096326 -2.188122 -1.170135
H -4.607109 -0.907474 -2.275399
H 5.106574 1.383291 2.202290
H 4.668788 1.986624 -2.038313
H -4.783543 1.918083 1.432642
H -6.254756 0.992056 1.751221
H -6.349520 2.524028 0.874938
H 5.670287 2.654286 0.138651


%chk=000188890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188890

0 1
S -2.269696 -1.793500 1.073428
O -3.399931 0.280846 -0.359227
N -1.131900 0.378788 -0.165496
C 2.272080 -1.522346 -0.098252
C 0.883363 -1.060864 -0.624793
C 0.196650 -0.055568 0.326797
C 3.265629 -0.362423 0.024916
C 2.837199 -2.658522 -0.991534
C -4.741867 -0.375889 -0.187552
C 3.823874 -0.015402 1.281481
C 3.659762 0.389989 -1.114114
C -2.260436 -0.335473 0.150527
C -1.159047 1.603824 -0.990828
C -5.757769 0.775774 -0.137217
C -4.959584 -1.354213 -1.348465
C 4.749030 1.047672 1.402451
C 4.581704 1.453630 -0.999611
C 5.131229 1.787970 0.260912
C -5.582746 1.695983 1.088395
H 2.114955 -1.941527 0.917128
H 0.996242 -0.610190 -1.631692
H 0.225898 -1.944427 -0.728300
H 0.820930 0.849572 0.444112
H 0.060217 -0.522430 1.318456
H 2.136744 -3.513359 -1.021389
H 2.991294 -2.310543 -2.030059
H 3.809495 -3.018042 -0.609825
H -4.704664 -0.922780 0.774761
H 3.532179 -0.585426 2.172703
H 3.248789 0.139405 -2.100147
H -1.041211 2.505529 -0.359067
H -2.112537 1.671168 -1.530624
H -0.325984 1.571900 -1.715949
H -6.768753 0.322206 -0.129768
H -5.679543 1.363670 -1.072956
H -5.940345 -1.852943 -1.240478
H -4.177037 -2.131538 -1.346549
H -4.942208 -0.824324 -2.317934
H 5.168619 1.296536 2.383979
H 4.874929 2.020096 -1.891254
H -4.579830 2.157470 1.088018
H -5.693202 1.128014 2.030941
H -6.334958 2.505534 1.088657
H 5.847939 2.612056 0.350313


