%chk=000268638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268638

0 1
S 3.053309 2.359741 0.931440
O 0.485563 -1.713880 -0.122467
N -3.441730 -0.175536 0.091488
C -3.887785 0.556808 -1.140192
C -4.488205 -1.150500 0.546833
C -5.184475 1.330163 -0.847955
C -5.795194 -0.403622 0.862040
C -6.288809 0.386244 -0.356300
C -2.133723 -0.868798 -0.142260
C -1.003000 0.131215 0.157689
C 0.354596 -0.528572 0.103681
C 1.528241 0.362450 0.336041
C 2.896862 -0.089761 0.087091
C 3.854613 0.913035 0.366252
C 1.466761 1.641970 0.790411
C 3.338814 -1.342910 -0.372497
C 5.222879 0.707124 0.197155
C 4.702579 -1.555667 -0.543303
C 5.639613 -0.540381 -0.262823
H -4.039603 -0.119603 -2.009169
H -3.084380 1.270896 -1.421346
H -4.112838 -1.643466 1.470155
H -4.680993 -1.952087 -0.198097
H -5.509810 1.868508 -1.756057
H -4.985862 2.102093 -0.077660
H -5.625023 0.289689 1.710251
H -6.563625 -1.124186 1.194987
H -7.195288 0.962684 -0.095350
H -6.586783 -0.306845 -1.165419
H -2.018664 -1.275951 -1.169628
H -2.031505 -1.741657 0.541572
H -1.045986 0.984086 -0.549443
H -1.176804 0.579596 1.161218
H 0.593640 2.218349 1.057604
H 2.606054 -2.129785 -0.580434
H 5.942163 1.492958 0.417320
H 5.058158 -2.522794 -0.898326
H 6.700638 -0.738907 -0.407503


%chk=000268638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268638

0 1
S 3.079592 2.515591 0.594447
O 0.472305 -1.735772 -0.334446
N -3.490717 -0.209209 0.098080
C -3.956587 0.681652 -0.996428
C -4.524797 -1.224152 0.434982
C -5.257849 1.414054 -0.609150
C -5.839922 -0.550935 0.876195
C -6.361586 0.404068 -0.221204
C -2.175605 -0.834475 -0.191311
C -1.019420 0.169337 -0.023096
C 0.359925 -0.491486 -0.104059
C 1.565887 0.360952 0.099850
C 2.952878 -0.117109 0.027632
C 3.903960 0.923589 0.270182
C 1.491623 1.718008 0.388976
C 3.443514 -1.425362 -0.241655
C 5.295267 0.706727 0.253283
C 4.832588 -1.652942 -0.262154
C 5.754941 -0.599669 -0.017349
H -4.130109 0.094363 -1.938606
H -3.166053 1.422695 -1.216613
H -4.131568 -1.859926 1.250088
H -4.734742 -1.895968 -0.440394
H -5.587053 2.048864 -1.454514
H -5.048571 2.080180 0.250305
H -5.651144 0.021386 1.805079
H -6.592130 -1.329762 1.107057
H -7.269466 0.934240 0.123720
H -6.651422 -0.186105 -1.115519
H -2.136448 -1.288830 -1.211416
H -2.021395 -1.664110 0.521484
H -1.071392 0.968412 -0.789428
H -1.135950 0.673013 0.957198
H 0.597637 2.328494 0.504304
H 2.725975 -2.228102 -0.425098
H 6.001318 1.521193 0.443427
H 5.209244 -2.660409 -0.469472
H 6.831671 -0.799796 -0.037376


