%chk=000181596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181596

0 1
S 5.360436 -0.141642 -0.141715
O 5.958072 -0.109529 1.439253
O 5.570685 1.177801 -0.666790
O 5.981938 -1.274134 -0.767497
O -1.114584 1.732728 0.922721
N 0.415148 0.824227 -1.239772
N -0.958256 0.564723 -1.025585
C 2.746951 0.310185 -0.663842
C 3.690960 -0.456370 0.260258
C 1.283925 0.092930 -0.244862
C -1.676796 1.055788 0.078221
C -3.123562 0.680679 0.097365
C -3.651815 0.117566 1.267332
C -3.947380 0.918370 -1.010829
C -5.005285 -0.226782 1.318486
C -5.301016 0.575818 -0.950802
C -5.828436 0.000344 0.210423
H 2.991027 1.396830 -0.651215
H 2.876559 -0.014527 -1.719938
H 3.464695 -1.545990 0.220589
H 3.483469 -0.188932 1.324473
H 1.028525 -0.988062 -0.275744
H 1.113237 0.435683 0.800514
H 0.578501 1.847030 -1.125031
H -1.348500 -0.086416 -1.707799
H -3.008289 -0.038768 2.134914
H -3.541403 1.380524 -1.910887
H 6.904853 0.039690 1.552914
H -5.419598 -0.666286 2.225203
H -5.946465 0.761360 -1.808536
H -6.884295 -0.266737 0.253479


%chk=000181596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181596

0 1
S 5.511889 0.104308 -0.068564
O 6.155429 -0.946488 1.332979
O 5.733960 1.671254 0.265137
O 6.035703 -0.489094 -1.479776
O -1.134284 1.568635 1.052562
N 0.403216 0.898990 -1.187289
N -0.978009 0.580619 -1.036452
C 2.752063 0.444272 -0.594762
C 3.685697 -0.408127 0.262911
C 1.286101 0.017826 -0.357294
C -1.706147 0.967236 0.087112
C -3.172944 0.635151 0.086658
C -3.829054 0.597345 1.343804
C -3.919621 0.384695 -1.095617
C -5.202477 0.288751 1.422394
C -5.296139 0.080236 -1.015219
C -5.939038 0.024682 0.243189
H 2.878407 1.512045 -0.329293
H 2.989298 0.332476 -1.668573
H 3.687440 -1.481176 0.015175
H 3.579519 -0.247702 1.347093
H 1.131732 -1.022865 -0.694720
H 1.028299 0.079591 0.721208
H 0.529824 1.886065 -0.904560
H -1.399460 0.079046 -1.817646
H -3.241930 0.820649 2.240488
H -3.453952 0.464032 -2.085417
H 7.152820 -0.877697 1.340581
H -5.699827 0.257017 2.397756
H -5.868122 -0.101863 -1.931466
H -7.007091 -0.211808 0.302898


