%chk=000280413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280413

0 1
S -1.000102 1.425755 -1.420135
O -1.412104 1.518700 -2.810249
O -0.600757 2.628743 -0.732877
N 0.898523 0.037810 -0.313100
N 0.361152 0.339145 -1.537194
C 3.046756 -0.892088 -1.274058
C 4.479055 -0.468529 -0.889801
C 4.877866 -0.920479 0.519729
C 3.876938 -0.406083 1.561079
C 2.454833 -0.885383 1.243917
C 2.062792 -0.530120 -0.171813
C 2.942511 -2.388821 -1.583252
C -2.172325 0.566005 -0.509346
C -2.053991 0.467734 0.881845
C -3.255722 -0.036398 -1.161587
C -4.106981 -0.822843 0.969530
C -3.016106 -0.222232 1.620566
C -4.220171 -0.726497 -0.429518
C -5.130944 -1.572351 1.754384
H 2.779065 -0.329727 -2.208104
H 4.556104 0.635157 -0.957243
H 5.195164 -0.870790 -1.630814
H 5.894163 -0.553879 0.757800
H 4.933478 -2.025200 0.561181
H 3.897749 0.701628 1.589798
H 4.168799 -0.744286 2.572691
H 1.739046 -0.454242 1.974804
H 2.382656 -1.986789 1.360827
H 3.254322 -3.000311 -0.728434
H 1.912656 -2.672907 -1.831611
H 3.577291 -2.664814 -2.432131
H 0.949065 0.315792 -2.385552
H -1.203614 0.932576 1.394634
H -3.348286 0.039675 -2.252257
H -2.918697 -0.293964 2.701771
H -5.060466 -1.190539 -0.941725
H -6.125438 -1.540457 1.287646
H -4.851247 -2.634053 1.842670
H -5.245332 -1.184637 2.776328


%chk=000280413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280413

0 1
S -0.980852 1.527195 -1.129093
O -1.352516 1.805148 -2.691615
O -0.528204 2.723063 -0.123478
N 1.061114 -0.023556 -0.104180
N 0.390683 0.150006 -1.300911
C 3.101855 -0.962959 -1.271946
C 4.595840 -0.553336 -1.099138
C 5.180623 -0.936565 0.280078
C 4.336499 -0.322156 1.420074
C 2.859369 -0.783402 1.320362
C 2.278849 -0.531189 -0.058853
C 2.925718 -2.491169 -1.514899
C -2.361428 0.560817 -0.312242
C -2.501395 0.651605 1.080887
C -3.218742 -0.188325 -1.133258
C -4.458303 -0.841050 0.897881
C -3.565134 -0.059891 1.678081
C -4.274303 -0.888343 -0.510258
C -5.579630 -1.623610 1.556640
H 2.724972 -0.450173 -2.182794
H 4.679465 0.545346 -1.222549
H 5.188424 -1.015021 -1.913050
H 6.228200 -0.586012 0.347394
H 5.208364 -2.039287 0.391996
H 4.381563 0.783427 1.357922
H 4.746448 -0.609054 2.406830
H 2.222426 -0.281569 2.068553
H 2.819010 -1.873318 1.534303
H 3.306223 -3.082290 -0.663030
H 1.860723 -2.746534 -1.658635
H 3.480971 -2.799853 -2.419535
H 0.931951 0.459234 -2.142266
H -1.814473 1.269795 1.666817
H -3.076288 -0.202507 -2.218478
H -3.703075 -0.005824 2.764063
H -4.965288 -1.475479 -1.126003
H -6.447598 -1.733574 0.883752
H -5.240857 -2.642911 1.825683
H -5.923501 -1.136381 2.485291


