%chk=000294078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294078

0 1
S -2.160542 -1.787782 -0.002053
O 1.475248 0.995118 0.000775
N 2.848361 -0.859141 -0.001023
C -5.865190 0.847713 0.000585
C -3.561555 -0.724054 -0.000991
C -5.282013 0.449465 -1.215165
C -5.281960 0.447097 1.215539
C -4.128165 -0.336745 -1.217708
C -4.128116 -0.339114 1.216505
C 4.125542 -0.212712 -0.000329
C -7.105598 1.677886 0.001453
C 5.267401 -1.043412 -0.000849
C 4.266603 1.185895 0.000797
C 6.535739 -0.462873 -0.000242
C 5.545709 1.743257 0.001389
C 6.682217 0.928010 0.000875
C 1.588221 -0.218089 -0.000422
C 0.436270 -1.159586 -0.001397
C -0.809669 -0.673314 -0.000975
H -5.729914 0.754657 -2.159192
H -5.729829 0.750455 2.160171
H -3.678868 -0.642381 -2.164462
H -3.678778 -0.646594 2.162642
H -7.174865 2.328933 0.883957
H -7.175898 2.329341 -0.880662
H -8.001812 1.038036 0.001827
H 5.170168 -2.125164 -0.001710
H 3.382516 1.832565 0.001220
H 2.874167 -1.880687 -0.002010
H 7.418518 -1.101522 -0.000641
H 5.655496 2.827915 0.002262
H 7.673732 1.372794 0.001342
H 0.653011 -2.227163 -0.002392
H -1.023246 0.403098 0.000082


%chk=000294078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294078

0 1
S -2.226730 -2.087785 -0.001819
O 1.317695 0.945693 0.001076
N 2.848000 -0.847846 -0.000843
C -5.823288 0.931738 0.000527
C -3.628088 -0.876818 -0.000861
C -5.259881 0.470243 -1.217743
C -5.260407 0.467728 1.218094
C -4.172066 -0.431084 -1.225552
C -4.172598 -0.433608 1.224515
C 4.098664 -0.173495 -0.000299
C -7.012685 1.875565 0.001255
C 5.273459 -0.976647 -0.001273
C 4.217815 1.243551 0.001159
C 6.547902 -0.376504 -0.000810
C 5.503011 1.827543 0.001604
C 6.672292 1.032922 0.000633
C 1.553114 -0.304622 -0.000170
C 0.482300 -1.339267 -0.001155
C -0.823674 -0.948109 -0.000733
H -5.673231 0.819970 -2.171246
H -5.674170 0.815490 2.172137
H -3.745574 -0.779545 -2.171672
H -3.746508 -0.784012 2.170099
H -7.016146 2.523262 0.895196
H -7.016837 2.523763 -0.892312
H -7.964545 1.309773 0.001481
H 5.186067 -2.071559 -0.002384
H 3.313221 1.853913 0.001912
H 2.903706 -1.869155 -0.001870
H 7.442434 -1.009239 -0.001573
H 5.586567 2.920311 0.002723
H 7.662465 1.500803 0.000990
H 0.760274 -2.401854 -0.002218
H -1.069654 0.120785 0.000332


