%chk=000210266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210266

0 1
S -7.543038 -0.824341 1.109792
S -8.250299 0.204272 -0.526208
O 2.393860 -0.777190 -0.385125
O -7.228077 -0.479465 -1.669541
O -9.556794 -0.252181 -0.859128
O -7.884370 1.574460 -0.423161
O 8.277995 1.178816 0.592452
O 8.608022 -0.528059 -0.693460
N -3.580012 0.029638 0.767717
N 7.881196 0.233580 -0.073485
C -1.133653 0.059879 0.476975
C 0.080030 -0.667408 -0.107054
C -2.437076 -0.661503 0.094227
C 1.374786 0.033623 0.294716
C -4.888632 -0.626129 0.453879
C -5.928948 -0.032067 1.400835
C 3.703886 -0.442393 -0.240835
C 4.190925 0.637710 0.517999
C 4.574150 -1.308779 -0.949287
C 5.564744 0.852894 0.568019
C 5.936913 -1.083271 -0.890831
C 6.435495 -0.000583 -0.131333
H -1.059152 0.114508 1.583630
H -1.159661 1.109414 0.124308
H 0.014355 -0.721403 -1.213798
H 0.108172 -1.723583 0.233803
H -2.543091 -0.707540 -1.011409
H -2.407217 -1.713643 0.457712
H 1.443318 1.066887 -0.084256
H 1.566299 -0.002550 1.380171
H -3.611525 1.013374 0.473015
H -4.792031 -1.723127 0.625938
H -5.197217 -0.502584 -0.612175
H -6.006443 1.071515 1.304929
H -5.658978 -0.228639 2.462421
H 3.521907 1.299177 1.059922
H 4.152861 -2.133001 -1.523933
H 5.979107 1.685537 1.150053
H 6.641517 -1.732154 -1.425524
H -7.630323 -0.785191 -2.500068


%chk=000210266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210266

0 1
S -7.659689 -0.864490 1.212548
S -8.291293 0.713892 -0.577940
O 2.512510 -0.986346 -0.385926
O -8.031300 -0.464698 -1.994987
O -9.837548 1.181254 -0.604227
O -7.123457 1.840480 -0.651280
O 8.224210 1.730410 0.571206
O 8.799433 -0.102802 -0.662590
N -3.591222 -0.251748 0.741996
N 7.925634 0.647841 -0.072780
C -1.112880 -0.236631 0.524070
C 0.117858 -0.955944 -0.073042
C -2.427368 -0.965817 0.182744
C 1.417202 -0.214353 0.244282
C -4.908945 -0.875993 0.533699
C -5.943058 -0.143420 1.402846
C 3.816241 -0.516785 -0.262434
C 4.182291 0.666341 0.436271
C 4.809332 -1.312913 -0.896911
C 5.535298 1.046276 0.496197
C 6.156657 -0.935201 -0.837296
C 6.509687 0.246055 -0.138599
H -1.024556 -0.161702 1.625182
H -1.160861 0.802345 0.133993
H 0.015328 -1.039368 -1.171766
H 0.187383 -1.986069 0.324883
H -2.501649 -1.091698 -0.926009
H -2.411925 -1.985300 0.616356
H 1.404127 0.812910 -0.174299
H 1.591526 -0.156623 1.338146
H -3.589080 0.752543 0.515204
H -4.843139 -1.937045 0.840645
H -5.249733 -0.864394 -0.528290
H -6.010842 0.925504 1.113218
H -5.694034 -0.188659 2.479557
H 3.430364 1.287685 0.929268
H 4.494236 -2.216729 -1.425746
H 5.850421 1.949709 1.025004
H 6.939918 -1.528579 -1.315578
H -8.554077 -0.111441 -2.775715


