%chk=000291564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291564

0 1
S 2.236866 0.703000 -1.514683
S -2.237069 0.700977 1.515467
O 1.484330 0.027271 -2.535374
O 3.250423 1.666416 -1.909849
O -1.484455 0.024261 2.535450
O -3.250799 1.663790 1.911652
O 0.000002 -0.152869 -0.000035
N 1.107034 1.708158 -0.591909
N -1.107365 1.707329 0.593825
C -0.000092 1.085674 0.000657
C 2.924153 -0.385340 -0.381865
C -2.924160 -0.386243 0.381455
C 1.348978 3.167073 -0.574221
C -1.349587 3.166224 0.577631
C 2.288712 -1.592717 -0.072783
C -2.288530 -1.593192 0.071092
C 4.150166 -0.064159 0.219424
C -4.150202 -0.064596 -0.219525
C 2.874931 -2.477273 0.840156
C -2.874590 -2.476850 -0.842818
C 4.734099 -0.944978 1.129735
C -4.733975 -0.944520 -1.130804
C 4.092752 -2.151811 1.441848
C -4.092440 -2.150921 -1.444197
H 1.312712 3.565635 0.453200
H 0.625235 3.708162 -1.206884
H 2.362038 3.390279 -0.977394
H -0.625986 3.706799 1.210895
H -2.362714 3.388844 0.980963
H -1.313323 3.565852 -0.449377
H 1.324611 -1.842806 -0.537103
H -1.324403 -1.843637 0.535170
H 4.655100 0.875709 -0.032493
H -4.655282 0.874925 0.033388
H 2.374299 -3.412718 1.085778
H -2.373811 -3.411956 -1.089432
H 5.685005 -0.696143 1.597816
H -5.684900 -0.695319 -1.598650
H 4.547719 -2.837863 2.157980
H -4.547282 -2.836267 -2.161084


%chk=000291564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291564

0 1
S 2.394632 0.956496 -1.433505
S -2.394606 0.953856 1.435041
O 1.625517 0.322312 -2.703161
O 3.579627 2.056257 -1.639608
O -1.625733 0.318087 2.704048
O -3.579566 2.053422 1.642367
O 0.000928 -0.036818 0.000786
N 1.111904 1.975579 -0.411098
N -1.111729 1.974363 0.414240
C 0.000655 1.235834 0.002004
C 3.119478 -0.417687 -0.347288
C -3.119404 -0.418904 0.346994
C 1.539064 3.316751 -0.010552
C -1.539817 3.315218 0.013593
C 2.479194 -1.665301 -0.330916
C -2.479289 -1.666588 0.329171
C 4.313490 -0.121209 0.329103
C -4.313308 -0.121460 -0.329169
C 3.091094 -2.689300 0.427548
C -3.091213 -2.689566 -0.430651
C 4.898936 -1.160367 1.089778
C -4.898764 -1.159592 -1.091236
C 4.288972 -2.435591 1.137873
C -4.288948 -2.434827 -1.140847
H 1.432399 3.450022 1.081158
H 0.991878 4.110636 -0.547958
H 2.606923 3.416578 -0.285926
H -0.994107 4.109511 0.551892
H -2.608121 3.413825 0.287701
H -1.432005 3.448960 -1.077943
H 1.544471 -1.818191 -0.874969
H -1.544680 -1.820278 0.873183
H 4.777003 0.866213 0.242802
H -4.776724 0.865904 -0.241702
H 2.626284 -3.679576 0.468486
H -2.626519 -3.679849 -0.472746
H 5.830071 -0.971724 1.633684
H -5.829802 -0.970155 -1.635034
H 4.750280 -3.235100 1.727545
H -4.750267 -3.233542 -1.731585


