%chk=000217313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217313

0 1
S 3.230134 -0.963721 0.364882
P 1.488302 -1.404346 -0.674727
O 0.515725 -0.485835 0.322947
O 1.222482 -2.965074 -0.279683
O 1.423120 -1.123455 -2.117070
C 3.695625 0.683463 -0.328132
C 5.093700 0.967318 0.203867
C -0.806735 -0.216809 -0.010757
C 5.593456 2.323547 -0.292865
C -3.481601 0.447675 -0.390484
C -1.289454 -0.081420 -1.317736
C -1.627909 -0.017012 1.110686
C 0.803153 -3.303848 1.075594
C -2.634492 0.247561 -1.493335
C -2.965971 0.318137 0.910012
C -4.916114 0.803298 -0.609820
C -0.689063 -3.571275 1.047321
H 2.966668 1.446053 0.006959
H 3.680234 0.660730 -1.436024
H 5.102222 0.954093 1.314213
H 5.801842 0.172844 -0.114730
H 4.945084 3.143489 0.037787
H 6.601543 2.532204 0.085219
H 5.642319 2.363292 -1.387796
H 1.390743 -4.227562 1.260605
H 1.084143 -2.528222 1.810670
H -0.644256 -0.219280 -2.192713
H -1.206881 -0.110798 2.109224
H -3.027226 0.353696 -2.504736
H -3.612448 0.480975 1.771239
H -5.490560 0.847932 0.324181
H -5.010355 1.786999 -1.092739
H -5.416796 0.071974 -1.260133
H -1.002947 -4.186415 1.898511
H -1.284559 -2.648629 1.067941
H -0.970128 -4.109680 0.128824


%chk=000217313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217313

0 1
S 3.531995 -1.405680 -0.060037
P 1.484591 -1.796464 -0.983034
O 0.580335 -0.676201 0.037733
O 1.067823 -3.375928 -0.434220
O 1.275187 -1.635891 -2.546944
C 3.590605 0.489197 -0.334402
C 4.924826 1.016310 0.221331
C -0.757158 -0.240153 -0.216245
C 5.029719 2.548037 0.031145
C -3.403036 0.744796 -0.514042
C -1.318509 -0.143275 -1.510380
C -1.490367 0.146612 0.925362
C 1.044228 -3.705872 1.027567
C -2.637501 0.342407 -1.639444
C -2.804211 0.640546 0.767036
C -4.815599 1.278243 -0.683361
C -0.397831 -3.748894 1.531510
H 2.723209 0.919612 0.190349
H 3.504195 0.669986 -1.418393
H 5.005631 0.766799 1.296595
H 5.767815 0.517015 -0.293044
H 4.211352 3.073553 0.556931
H 5.987789 2.923934 0.432637
H 4.979285 2.822893 -1.038561
H 1.526586 -4.696442 1.080114
H 1.658181 -2.973914 1.586913
H -0.741319 -0.445122 -2.389837
H -1.026200 0.065877 1.913325
H -3.077321 0.412946 -2.641864
H -3.370509 0.944202 1.655534
H -5.302466 1.450143 0.292006
H -4.819493 2.238846 -1.232989
H -5.447243 0.574377 -1.256429
H -0.414364 -4.100127 2.580903
H -0.869284 -2.752652 1.488967
H -0.997942 -4.447818 0.924470


