%chk=000205849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205849

0 1
S 1.687695 -0.307362 -1.882460
P 1.346376 -0.596954 -0.043773
O 2.109376 -1.823971 0.715915
O 1.559594 0.547505 1.086556
O -0.230375 -1.190040 0.268404
O -2.252080 1.539954 -0.594792
N -1.000187 0.976418 -0.350951
C 2.102873 -3.121170 0.022209
C 1.861169 1.914120 0.642560
C -1.213118 -0.324313 -0.042220
C -2.621481 -0.646361 -0.070799
C -3.224927 0.536584 -0.418141
C 2.921544 -3.992604 0.953933
C 3.340964 2.051948 0.353891
C -4.602080 0.982176 -0.643376
H 1.056587 -3.470928 -0.068222
H 2.575028 -3.013978 -0.973921
H 1.214734 2.214329 -0.206025
H 1.552064 2.469575 1.553559
H -3.048863 -1.605650 0.138347
H 2.974113 -5.026363 0.594770
H 3.947202 -3.611335 1.057578
H 2.490697 -4.001320 1.966102
H 3.660898 3.098924 0.430990
H 3.944865 1.473721 1.068159
H 3.612492 1.710173 -0.655667
H -4.653942 2.051828 -0.912469
H -5.079607 0.417695 -1.463192
H -5.225508 0.841001 0.256236


%chk=000205849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205849

0 1
S 1.880363 -0.313700 -2.055179
P 1.471320 -0.622130 -0.062078
O 2.161279 -1.960001 0.749634
O 1.863432 0.551087 1.112993
O -0.244343 -1.080833 0.280617
O -2.394643 1.634435 -0.511925
N -1.055557 1.106756 -0.237065
C 2.049748 -3.310641 0.111428
C 1.986405 2.000145 0.719543
C -1.271948 -0.216347 -0.028989
C -2.652454 -0.595823 -0.137736
C -3.322383 0.577865 -0.436470
C 2.934299 -4.233329 0.942615
C 3.431075 2.331454 0.351397
C -4.750054 0.944123 -0.690972
H 0.988470 -3.618781 0.134887
H 2.391007 -3.240287 -0.939429
H 1.269445 2.218649 -0.091307
H 1.657815 2.518265 1.635221
H -3.063392 -1.592545 -0.011729
H 2.886573 -5.260307 0.535628
H 3.983286 -3.893821 0.919830
H 2.595253 -4.256033 1.991830
H 3.524205 3.420471 0.178376
H 4.118377 2.050247 1.167591
H 3.735399 1.807972 -0.570882
H -4.830028 2.024272 -0.895423
H -5.152667 0.395410 -1.560618
H -5.384179 0.707025 0.181412


