%chk=000181944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181944

0 1
S -2.198064 4.227232 0.209367
O -0.479743 2.619273 -0.647374
O -1.804825 -3.011463 1.682715
N -2.283525 1.567612 0.542756
N -2.035799 -0.734667 1.130638
C 3.883195 -1.046862 -0.235611
C 2.681118 -0.104275 -0.343536
C 5.081438 -0.216669 0.264854
C 4.233331 -1.683253 -1.594572
C 3.580788 -2.185977 0.758803
C 2.305883 0.467967 -1.569866
C 1.960385 0.241031 0.813746
C 1.219076 1.340341 -1.658387
C 0.873576 1.115468 0.760012
C 0.520965 1.640326 -0.484932
C -1.633435 2.686517 0.063713
C -2.004064 0.213406 0.138356
C -3.387853 1.786387 1.522935
C -1.754045 -0.098269 -1.208312
C -1.504675 -1.436699 -1.550339
C -1.793667 -2.021073 0.751731
C -1.519478 -2.426853 -0.577332
C -2.080597 -2.639623 3.066863
H 5.980239 -0.833193 0.364854
H 5.316535 0.600927 -0.425484
H 4.880605 0.233688 1.242630
H 4.537835 -0.933830 -2.332769
H 5.066717 -2.387646 -1.495435
H 3.384542 -2.239185 -2.006539
H 4.401344 -2.910452 0.792374
H 3.440468 -1.815341 1.779493
H 2.672807 -2.729503 0.475506
H 2.865660 0.240039 -2.478191
H 2.252336 -0.174657 1.779901
H 0.924917 1.793271 -2.602955
H 0.326314 1.382065 1.661877
H -3.709287 0.833034 1.975651
H -4.254640 2.253800 1.019197
H -3.058526 2.455251 2.339360
H -1.752384 0.677147 -1.972479
H -1.302975 -1.695105 -2.592291
H -1.332788 -3.473159 -0.799522
H -3.083534 -2.209029 3.142526
H -1.323407 -1.933614 3.421871
H -2.009064 -3.610586 3.569699


%chk=000181944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181944

0 1
S -0.178211 2.535955 1.048285
O -0.267240 -0.042639 0.109713
O -5.673250 -2.326960 1.917002
N -2.286123 0.790656 0.837884
N -3.949756 -0.816086 1.332159
C 5.481701 -0.221345 -0.740539
C 3.949894 -0.138251 -0.535572
C 6.184283 0.739299 0.266347
C 5.908035 0.183485 -2.175105
C 5.962208 -1.681618 -0.482016
C 3.064029 0.308477 -1.549084
C 3.384225 -0.514866 0.715108
C 1.668932 0.382363 -1.331801
C 1.996909 -0.450907 0.949894
C 1.154688 0.002568 -0.082436
C -0.938517 1.064396 0.651406
C -2.946633 -0.442770 0.482382
C -3.093837 1.832794 1.524472
C -2.635939 -1.184690 -0.681392
C -3.385334 -2.357359 -0.941560
C -4.653198 -1.936359 1.059143
C -4.412485 -2.760942 -0.070032
C -5.914619 -1.476148 3.098961
H 7.282767 0.677356 0.150950
H 5.875303 1.785922 0.091028
H 5.937993 0.486100 1.312935
H 5.632250 1.229329 -2.404813
H 7.005899 0.099569 -2.271141
H 5.454621 -0.474347 -2.939567
H 7.057513 -1.752625 -0.620367
H 5.729963 -2.014176 0.545423
H 5.477598 -2.385776 -1.182822
H 3.453790 0.609195 -2.525352
H 4.034525 -0.865514 1.524090
H 0.992796 0.736682 -2.116023
H 1.567748 -0.742425 1.913298
H -4.123418 1.462537 1.611644
H -3.052402 2.769393 0.944140
H -2.686663 2.032662 2.529615
H -1.841201 -0.866245 -1.353497
H -3.166028 -2.948210 -1.836714
H -5.015727 -3.655880 -0.234670
H -6.232684 -0.464065 2.793504
H -5.002823 -1.393745 3.714815
H -6.717883 -1.990992 3.645806


