%chk=000286207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286207

0 1
S -2.523673 2.024201 0.700763
O 0.983073 0.237231 0.976985
O -0.413044 0.333792 -0.866928
O -2.170729 3.037776 -0.252738
O -3.068615 2.390799 1.989237
N -1.028557 1.229000 1.185411
C 0.983499 -2.712399 0.817188
C 3.027369 1.966196 -0.112200
C 2.037883 -1.799248 0.177910
C 3.030152 0.441225 -0.290976
C 2.024139 -0.394025 0.242558
C 1.579082 -4.107096 1.118676
C -0.174131 -2.867212 -0.185689
C 0.474976 -2.145052 2.155648
C 4.326550 2.605799 -0.650136
C 2.942780 2.293465 1.392130
C 1.834399 2.569936 -0.878359
C 3.091474 -2.375316 -0.552383
C 4.058903 -0.198895 -0.994567
C 4.081522 -1.588374 -1.136334
C -0.171417 0.584195 0.293636
C -3.459358 0.782039 -0.015781
C -4.505080 0.200090 0.715668
C -3.203159 0.363197 -1.326595
C -5.291671 -0.796250 0.137156
C -3.992376 -0.636100 -1.906277
C -5.034023 -1.213816 -1.175727
H 0.830836 -4.759454 1.580978
H 1.926100 -4.614216 0.211885
H 2.426383 -4.035694 1.808976
H 0.147987 -3.398009 -1.088001
H -1.008160 -3.424582 0.249465
H -0.559343 -1.894421 -0.519072
H -0.012616 -2.917300 2.759327
H 1.297619 -1.729691 2.748799
H -0.257661 -1.345457 2.016591
H 4.436285 2.457564 -1.729492
H 5.215388 2.203268 -0.153829
H 4.325595 3.687687 -0.473582
H 2.036899 1.878166 1.850372
H 2.928483 3.374898 1.560309
H 3.797413 1.881113 1.937964
H 0.983069 2.786976 -0.224949
H 1.473236 1.903452 -1.672401
H 2.090695 3.521191 -1.356919
H 3.137369 -3.459002 -0.675014
H 4.859216 0.381023 -1.454465
H 4.882265 -2.059058 -1.705292
H -0.695046 1.337193 2.158793
H -4.708694 0.531485 1.741245
H -2.374963 0.805587 -1.899749
H -6.104796 -1.247927 0.703689
H -3.788659 -0.962633 -2.925872
H -5.649870 -1.993316 -1.627533


%chk=000286207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286207

0 1
S -2.665347 2.003382 0.526995
O 0.942010 0.250086 0.972453
O -0.393507 0.374213 -0.991563
O -2.236824 3.136450 -0.541433
O -3.348929 2.388452 1.947294
N -1.149969 1.100215 1.109769
C 1.100820 -2.714735 1.069096
C 3.086842 1.995489 -0.115222
C 2.070040 -1.814803 0.246448
C 3.020960 0.454200 -0.329316
C 2.030529 -0.389085 0.256045
C 1.476574 -4.218482 0.938850
C -0.381587 -2.577291 0.601431
C 1.214126 -2.343034 2.580647
C 4.336442 2.608957 -0.809102
C 3.217691 2.285732 1.413025
C 1.842258 2.743229 -0.686922
C 3.116547 -2.399859 -0.513318
C 4.033739 -0.207940 -1.071695
C 4.066340 -1.610007 -1.187246
C -0.219936 0.565708 0.229031
C -3.680684 0.664181 -0.329080
C -4.651251 0.012222 0.448128
C -3.454922 0.430666 -1.694154
C -5.448384 -0.958913 -0.200612
C -4.267085 -0.544047 -2.318316
C -5.253613 -1.234704 -1.574984
H 0.803804 -4.809680 1.586368
H 1.354367 -4.590161 -0.095427
H 2.512902 -4.417616 1.267403
H -0.462122 -2.606505 -0.499243
H -0.974240 -3.415158 1.014685
H -0.849527 -1.646722 0.957928
H 0.511460 -2.960789 3.171463
H 2.237183 -2.534571 2.953528
H 0.975955 -1.281517 2.754684
H 4.293205 2.504116 -1.909199
H 5.279914 2.161595 -0.446460
H 4.373220 3.689218 -0.580143
H 2.364929 1.871623 1.975238
H 3.250868 3.378191 1.584439
H 4.147524 1.845092 1.817868
H 0.963034 2.667563 -0.028744
H 1.559922 2.362953 -1.683521
H 2.073853 3.820472 -0.781246
H 3.193796 -3.486928 -0.579053
H 4.811163 0.378335 -1.565445
H 4.851592 -2.089904 -1.781865
H -0.913404 1.291905 2.089882
H -4.788347 0.266903 1.503867
H -2.679477 0.976157 -2.237932
H -6.219566 -1.490804 0.365666
H -4.122879 -0.762658 -3.380998
H -5.877011 -1.987390 -2.069494


