%chk=000292885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292885

0 1
S -6.288413 -0.708604 1.081610
O 5.061204 -0.218232 0.307187
O 4.018708 2.510188 0.689125
O 3.062304 -2.255431 -0.207653
O -3.413512 -1.714719 0.471586
N -1.385619 0.130916 0.151340
N -2.706735 0.470567 0.073731
C 0.948347 0.692214 0.134697
C 3.702234 0.077250 0.242559
C 3.254672 1.402531 0.434027
C 2.736415 -0.934879 0.042920
C 1.881408 1.708629 0.377522
C 1.371336 -0.635374 -0.022472
C -0.480891 1.067832 0.056946
C 5.619352 -0.575307 -0.992125
C -5.057535 -0.054374 0.060571
C 5.449008 2.342126 0.870693
C 3.915499 -2.889906 0.784966
C -3.685281 -0.566588 0.221962
C -5.591301 0.844536 -0.824936
C -7.009086 1.015156 -0.654801
C -7.527757 0.244293 0.348543
H 1.575786 2.741514 0.528997
H 0.650442 -1.441185 -0.184207
H -0.671072 2.143434 -0.073164
H 5.549069 0.276150 -1.672901
H 5.094874 -1.447409 -1.399082
H 6.657961 -0.810303 -0.741964
H 5.913230 2.103663 -0.089655
H 5.654814 1.557591 1.607872
H 5.745050 3.332634 1.234078
H 3.331523 -3.045325 1.697007
H 4.811080 -2.290254 0.983432
H 4.160138 -3.841483 0.301186
H -3.008945 1.444069 -0.053285
H -5.037172 1.371145 -1.590842
H -7.582899 1.690949 -1.275328
H -8.553234 0.189885 0.677556


%chk=000292885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292885

0 1
S -6.463713 -1.161011 0.275702
O 5.156244 -0.174045 -0.063102
O 4.145230 2.521611 0.287349
O 3.250909 -2.325769 -0.246325
O -3.501017 -1.873063 0.059805
N -1.365359 -0.043187 0.060712
N -2.691121 0.339809 0.087769
C 0.972643 0.596894 0.135319
C 3.768200 0.070802 0.039665
C 3.298665 1.400585 0.235556
C 2.818175 -0.994457 -0.043836
C 1.909631 1.652455 0.277757
C 1.439319 -0.738667 -0.012175
C -0.459949 0.908539 0.165112
C 5.587332 -0.658784 -1.400954
C -5.078102 -0.049316 -0.046079
C 5.271568 2.479868 1.246720
C 4.010980 -2.909760 0.883129
C -3.714307 -0.630250 0.032387
C -5.528832 1.232665 -0.365237
C -6.960772 1.363187 -0.347296
C -7.607555 0.178665 -0.018953
H 1.582270 2.689804 0.407919
H 0.728097 -1.564385 -0.099322
H -0.732844 1.978630 0.279389
H 5.384730 0.115974 -2.162765
H 5.062482 -1.595582 -1.657465
H 6.670836 -0.831133 -1.313541
H 5.942640 1.633446 1.029219
H 4.885600 2.404378 2.281772
H 5.793685 3.439337 1.112035
H 3.369716 -2.963257 1.783047
H 4.918199 -2.316763 1.098556
H 4.282352 -3.925234 0.557114
H -2.947965 1.333486 0.189639
H -4.868331 2.060337 -0.640874
H -7.488126 2.292095 -0.576007
H -8.676509 -0.010004 0.065958


