%chk=000286310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286310

0 1
S 2.789096 0.919971 0.821907
S -3.604526 -2.777406 -0.327934
O -2.384161 -2.363333 -1.486926
O 4.200916 1.006881 1.149575
O 1.801531 0.704368 1.851994
O 5.180586 -3.037919 0.193802
O -2.996585 -3.684532 0.605174
O -4.676295 -3.176023 -1.191762
O 3.422895 -2.593797 1.506543
N 2.697763 -0.370105 -0.340696
C 1.402832 -0.960768 -0.595674
C 2.330469 2.284841 -0.125076
C 3.869626 -1.231974 -0.533322
C 0.776079 -1.815008 0.328037
C 0.768724 -0.627720 -1.808686
C 3.315702 3.108111 -0.683802
C 0.978218 2.577508 -0.331896
C -1.134099 -1.944983 -1.129681
C -0.494937 -2.320705 0.060258
C -0.507817 -1.109931 -2.076412
C 1.594175 4.507448 -1.667193
C 2.953192 4.213725 -1.451122
C 0.608184 3.681567 -1.100560
C 4.057932 -2.308502 0.522927
C -3.914945 -1.265010 0.403325
C 1.213883 5.693444 -2.487715
C -4.868882 -0.401884 -0.153307
C -3.225081 -0.881801 1.562987
C -4.432776 1.222805 1.595161
C -5.128426 0.833891 0.436036
C -3.478331 0.353246 2.154451
C -4.708638 2.537659 2.240177
H 4.797157 -0.594906 -0.547260
H 3.813315 -1.726169 -1.536646
H 1.285969 -2.081193 1.264688
H 1.277482 0.012531 -2.530275
H 4.376188 2.887925 -0.510951
H 0.203865 1.943278 0.114065
H -0.954829 -3.029212 0.757927
H -1.027606 -0.869638 -3.001606
H 3.722676 4.852211 -1.881482
H -0.445631 3.902047 -1.258606
H 1.705027 5.679248 -3.472474
H 0.133144 5.762715 -2.670769
H 1.516130 6.630295 -1.993921
H -5.419227 -0.700825 -1.053962
H -2.483561 -1.554836 2.012227
H -5.873658 1.496546 -0.001003
H -2.932664 0.645369 3.052201
H -3.783810 3.050276 2.545560
H -5.312873 2.406382 3.152861
H -5.259991 3.230183 1.589759
H 5.380792 -3.754392 0.853474


%chk=000286310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286310

0 1
S 1.580440 1.619286 0.718355
S -3.711932 -3.539464 -0.253582
O -2.635610 -2.896627 -2.070714
O 2.940740 1.754189 1.634415
O 0.083552 1.727174 1.387451
O 3.719504 -2.281223 2.010764
O -2.830186 -4.750811 0.394813
O -5.278171 -3.732580 -0.646859
O 1.597426 -1.336569 2.140537
N 2.025769 -0.179889 -0.566331
C 0.903744 -0.908587 -0.942559
C 1.659659 2.996799 -0.568189
C 3.090079 -0.839201 0.204286
C 0.781709 -2.338030 -0.787749
C -0.172161 -0.200627 -1.587622
C 2.919688 3.412380 -1.029976
C 0.453833 3.572327 -0.998118
C -1.480337 -2.276079 -1.756101
C -0.362874 -3.006744 -1.216130
C -1.345320 -0.854587 -1.949707
C 1.769599 5.067091 -2.456419
C 2.961081 4.454521 -1.979963
C 0.523565 4.615840 -1.949157
C 2.673055 -1.491439 1.530554
C -3.472886 -2.000206 0.783510
C 1.838614 6.192001 -3.472318
C -4.433874 -0.978239 0.695673
C -2.285775 -1.891309 1.533766
C -2.991727 0.381631 2.170923
C -4.186245 0.209021 1.419566
C -2.049985 -0.683578 2.218646
C -2.694320 1.679033 2.890041
H 3.843294 -0.074024 0.473154
H 3.603278 -1.586664 -0.429029
H 1.604385 -2.919016 -0.359037
H -0.061660 0.874836 -1.755843
H 3.835600 2.955275 -0.643515
H -0.500811 3.236433 -0.579769
H -0.458675 -4.092124 -1.110849
H -2.188694 -0.313159 -2.390037
H 3.932209 4.799097 -2.354086
H -0.403586 5.086083 -2.295489
H 2.412653 5.889312 -4.367259
H 0.834264 6.504565 -3.803435
H 2.344479 7.079497 -3.047779
H -5.341597 -1.111843 0.098695
H -1.571886 -2.718510 1.579934
H -4.924932 1.017868 1.387283
H -1.110576 -0.555294 2.765758
H -1.719732 2.076592 2.546292
H -2.607824 1.520584 3.981460
H -3.475528 2.438292 2.716043
H 3.488882 -2.641408 2.910097


