%chk=000096649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000096649

0 1
S 0.205216 1.530426 0.679978
O -0.476362 1.213732 1.924403
O 0.757491 2.865342 0.527949
N -0.899434 1.344997 -0.640803
N 2.418323 -2.926388 1.902831
C 1.403496 0.321978 0.370960
C -1.720436 2.546470 -0.976902
C -1.565850 0.077184 -0.829066
C 2.297894 0.421539 -0.700238
C 1.457694 -0.763590 1.253581
C -2.868112 2.788624 0.000115
C 3.259758 -0.598134 -0.878736
C 2.419351 -1.769850 1.072392
C 2.258358 1.566701 -1.651900
C -1.715480 -0.391770 -2.148006
C -2.029782 -0.690409 0.253031
C 3.326578 -1.677882 -0.010967
C -2.314193 -1.632390 -2.372318
C -2.619589 -1.932494 0.010013
C -2.764178 -2.406761 -1.297549
H -1.033263 3.427892 -0.999007
H -2.115942 2.421155 -2.010010
H 0.745477 -0.827562 2.084592
H -3.570436 1.945680 0.021441
H -2.512558 2.929180 1.031107
H -3.434738 3.686211 -0.270614
H 3.958251 -0.533506 -1.712958
H 1.346631 1.542824 -2.271636
H 2.248470 2.542473 -1.124393
H 3.113917 1.589757 -2.337241
H -1.357374 0.207488 -2.982295
H -1.940939 -0.319563 1.280467
H 4.068047 -2.460573 -0.167323
H -2.427875 -2.000087 -3.391311
H -2.973336 -2.532168 0.848326
H -3.225296 -3.374848 -1.478791
H 3.311809 -3.392709 1.986856
H 1.992108 -2.799069 2.812221


%chk=000096649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096649

0 1
S 0.168989 1.519291 0.748734
O -0.530889 1.018205 2.145519
O 0.720518 3.051223 0.674783
N -0.988808 1.354611 -0.790858
N 2.654209 -2.933968 1.826130
C 1.522361 0.260460 0.315008
C -1.795645 2.607298 -0.941699
C -1.653396 0.069368 -0.852562
C 2.397942 0.489331 -0.771319
C 1.570072 -0.834351 1.187073
C -2.967220 2.830136 0.037982
C 3.380789 -0.523532 -0.942986
C 2.569344 -1.826680 0.984147
C 2.335005 1.692915 -1.690986
C -1.408431 -0.706867 -2.015369
C -2.505746 -0.440503 0.166341
C 3.474339 -1.648939 -0.101954
C -2.035948 -1.960190 -2.181246
C -3.114183 -1.704384 0.001225
C -2.890721 -2.462322 -1.171924
H -1.074064 3.441308 -0.865729
H -2.162520 2.580131 -1.986484
H 0.847575 -0.898599 2.008922
H -3.738782 2.046374 -0.055377
H -2.609603 2.852898 1.082882
H -3.442382 3.804322 -0.180442
H 4.095175 -0.414953 -1.767599
H 1.325492 1.806521 -2.126338
H 2.548156 2.627843 -1.143198
H 3.065640 1.587270 -2.510701
H -0.726621 -0.308382 -2.773682
H -2.658354 0.132569 1.084752
H 4.255831 -2.396736 -0.283401
H -1.849580 -2.547039 -3.087510
H -3.763949 -2.097450 0.791265
H -3.371882 -3.439067 -1.295385
H 3.371647 -3.639177 1.687937
H 2.009334 -3.049034 2.602249


