%chk=000282336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282336

0 1
S 5.003085 -2.501994 0.024872
O 2.979558 3.964850 -0.127276
O 4.970797 -3.213843 -1.516043
O 6.389698 -2.132468 0.193102
O 4.406863 -3.477937 0.899441
N -3.176402 -0.426756 0.285070
N -3.328778 -2.726484 -0.701358
N -5.302394 -1.585423 0.189295
N -5.255660 0.652758 0.909066
N 1.564736 2.251034 -0.755221
N -5.487640 -3.639098 -0.991872
C -2.417003 -1.661892 -0.274324
C -2.493187 0.845440 0.324443
C -1.591290 -1.221167 -1.491807
C -1.529148 -2.192964 0.861068
C -4.574338 -0.493091 0.452400
C -1.100707 3.274683 0.377622
C -2.775733 1.835822 -0.634697
C -1.540704 1.081563 1.328643
C -0.306490 4.552255 0.365492
C -2.080286 3.042928 -0.601863
C -0.848769 2.293444 1.348216
C -4.631592 -2.650114 -0.487917
C 0.736612 4.576402 -0.759568
C 1.882615 3.613782 -0.501167
C 2.419156 1.133524 -0.559636
C 2.639699 -1.290186 -0.533548
C 4.005084 -1.149635 -0.210865
C 1.848722 -0.147406 -0.702729
C 3.788167 1.273621 -0.244430
C 4.561579 0.135495 -0.080113
C 2.039898 -2.640459 -0.698796
H -2.197580 -0.666407 -2.217621
H -0.724151 -0.605512 -1.215273
H -1.220469 -2.110888 -2.025523
H -2.101262 -2.358150 1.781911
H -1.109331 -3.170413 0.578418
H -0.694876 -1.525349 1.092331
H -3.539344 1.657684 -1.394098
H -1.340756 0.321676 2.085831
H -0.989281 5.421767 0.245195
H 0.194678 4.719044 1.343779
H -2.301228 3.810463 -1.343885
H -0.102098 2.470434 2.124062
H 1.169847 5.600458 -0.839740
H 0.262478 4.383036 -1.742923
H -6.231068 0.505506 1.161479
H -4.764762 1.277414 1.534990
H 0.594456 2.030286 -1.016835
H -5.067894 -4.530694 -1.219630
H -6.413632 -3.689908 -0.588632
H 0.787185 -0.262840 -0.946151
H 4.231759 2.269172 -0.130573
H 5.629924 0.240559 0.157715
H 0.958125 -2.626395 -0.886483
H 2.502815 -3.189365 -1.541548
H 2.198738 -3.280331 0.193788
H 5.799080 -3.618331 -1.807882


%chk=000282336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282336

0 1
S 5.205044 -2.534846 0.366668
O 2.996101 4.110759 0.133603
O 5.593255 -3.009440 -1.396951
O 6.556118 -2.015041 1.088395
O 4.387881 -3.767859 1.029503
N -3.333761 -0.415383 0.119660
N -3.819560 -2.627321 -0.903788
N -5.227441 -1.696243 0.879193
N -4.841289 0.423372 1.760017
N 1.781676 2.332765 -0.808783
N -5.861112 -3.606113 -0.296508
C -2.752580 -1.678096 -0.570194
C -2.599868 0.823957 0.144302
C -2.055625 -1.269419 -1.883101
C -1.739741 -2.341568 0.406451
C -4.461929 -0.598813 0.913431
C -1.147320 3.292462 0.180753
C -2.806398 1.796907 -0.868601
C -1.671817 1.101881 1.183223
C -0.353512 4.591569 0.163687
C -2.084710 3.008767 -0.850108
C -0.959656 2.322002 1.198743
C -4.897691 -2.628062 -0.128342
C 0.816253 4.597792 -0.878683
C 1.973470 3.679682 -0.474443
C 2.614642 1.222066 -0.526610
C 2.853771 -1.247879 -0.653519
C 4.120478 -1.064846 -0.044780
C 2.118530 -0.064136 -0.880201
C 3.895041 1.348981 0.077463
C 4.650613 0.185861 0.312284
C 2.294751 -2.596739 -1.057277
H -2.773325 -0.784473 -2.565632
H -1.199257 -0.593268 -1.708024
H -1.695255 -2.190680 -2.369996
H -2.240500 -2.606833 1.354506
H -1.358040 -3.271631 -0.049651
H -0.882630 -1.676020 0.621282
H -3.538764 1.590839 -1.655860
H -1.512419 0.359027 1.972352
H -1.021965 5.435409 -0.091934
H 0.067645 4.804438 1.162989
H -2.264826 3.753424 -1.636006
H -0.246421 2.519745 2.007859
H 1.232322 5.616976 -0.941310
H 0.420995 4.326835 -1.876643
H -5.710521 0.291347 2.270803
H -4.277176 1.257930 1.892407
H 0.880872 2.111406 -1.242267
H -5.712861 -4.335806 -0.987141
H -6.716683 -3.549715 0.247216
H 1.129373 -0.153002 -1.347401
H 4.272330 2.334863 0.350790
H 5.642218 0.245745 0.772249
H 1.288573 -2.486955 -1.492975
H 2.953207 -3.080017 -1.801421
H 2.237516 -3.280181 -0.192196
H 6.109477 -3.866817 -1.361278


