%chk=000228795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228795

0 1
S 0.605341 -1.815883 0.842971
O 1.075511 -2.719870 1.868573
O 0.456238 -2.272832 -0.517409
O 5.665249 -0.316515 -0.217743
O 5.288088 1.035812 -1.965373
N -0.904846 -1.274219 1.466583
N 2.731864 1.813438 -0.916451
C 1.573393 -0.350298 0.845870
C 2.803196 -0.519328 -0.039866
C 3.559154 0.817705 -0.205332
C -1.850902 -0.473309 0.768375
C -3.866665 0.890352 0.858733
C -2.941790 0.054011 1.490872
C -3.707303 1.210594 -0.509692
C -1.700727 -0.176745 -0.595881
C 4.889731 0.559358 -0.930503
C -2.627703 0.664763 -1.214118
C -5.016815 1.438870 1.641048
C -4.676231 2.109641 -1.208284
H 0.989915 0.539571 0.497557
H 1.876166 -0.061310 1.874788
H 2.510406 -0.915389 -1.039723
H 3.501369 -1.269203 0.399293
H 3.808564 1.234883 0.812359
H -1.234178 -1.664045 2.360459
H -3.065668 -0.187335 2.543102
H -0.907553 -0.625140 -1.197061
H 2.418418 1.464763 -1.820322
H 3.250739 2.673214 -1.086612
H -2.504982 0.891414 -2.274142
H -5.015153 1.111075 2.688300
H -5.006218 2.538391 1.645740
H -5.976953 1.124676 1.206002
H -4.716394 3.099842 -0.733501
H -4.416294 2.269076 -2.262643
H -5.692738 1.691829 -1.188296
H 6.541570 -0.505558 -0.653675


%chk=000228795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228795

0 1
S 0.587414 -1.358950 1.776408
O 0.797532 -2.299618 3.094931
O 0.103353 -2.011758 0.357934
O 5.452312 -0.677706 -1.426473
O 3.950264 0.180083 -2.982141
N -0.631884 0.157494 2.363745
N 2.493141 1.497225 -0.869439
C 2.220781 -0.338422 1.455409
C 2.854263 -0.754173 0.131538
C 3.510767 0.488987 -0.552162
C -1.596348 0.542134 1.391377
C -3.932618 0.643313 0.578529
C -2.969697 0.181823 1.500951
C -3.509390 1.459308 -0.518407
C -1.180663 1.351881 0.299438
C 4.290042 0.009469 -1.792340
C -2.134084 1.791170 -0.636566
C -5.391803 0.258411 0.740620
C -4.507399 1.955713 -1.546419
H 1.849965 0.697586 1.427363
H 2.810176 -0.550447 2.360485
H 2.071040 -1.155844 -0.543464
H 3.608853 -1.544960 0.276164
H 4.247578 0.927449 0.146259
H -1.068016 -0.311096 3.185567
H -3.285643 -0.468206 2.327778
H -0.125066 1.631931 0.203474
H 1.892225 1.210457 -1.652664
H 2.875587 2.435583 -1.027376
H -1.812115 2.416170 -1.478109
H -5.542131 -0.384194 1.624225
H -6.037059 1.150516 0.857449
H -5.766393 -0.291643 -0.143743
H -5.315339 2.550387 -1.077861
H -4.018880 2.587629 -2.306986
H -4.999737 1.114531 -2.072101
H 5.924770 -1.005932 -2.239394


