%chk=000215371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215371

0 1
S 5.420570 -1.370208 1.058200
S 2.455834 0.774293 -2.637294
O -1.685618 2.444577 0.807713
O -1.218026 -2.467969 0.109704
O -2.972291 -0.234982 1.011458
O -3.962086 -0.037493 -1.043267
N 3.357439 0.586037 -0.151055
C 3.229916 0.243633 1.294829
C 4.763438 0.667278 -0.641030
C 3.681308 -1.190428 1.546810
C 5.408307 -0.712829 -0.634301
C 2.303834 0.549082 -1.005037
C 0.928194 0.347061 -0.469918
C 0.409800 -0.946623 -0.396692
C 0.182610 1.450274 -0.054203
C -1.134447 1.259878 0.411951
C -0.906306 -1.139048 0.070101
C -1.693877 -0.037365 0.478197
C -3.051367 2.488353 1.287550
C -2.540724 -2.894062 0.517421
C -4.072437 -0.214925 0.137117
C -5.288180 -0.446919 0.964885
H 2.177445 0.387396 1.636627
H 3.844397 0.966233 1.884063
H 5.320164 1.380155 0.011316
H 4.792770 1.104723 -1.672798
H 3.615558 -1.451010 2.621767
H 3.048576 -1.919768 1.003968
H 4.884716 -1.409004 -1.320108
H 6.461449 -0.666361 -0.975886
H 0.980863 -1.811374 -0.732697
H 0.578000 2.463997 -0.117852
H -3.213523 1.743831 2.073603
H -3.733234 2.357768 0.442158
H -3.109690 3.510602 1.685100
H -3.254366 -2.661075 -0.278309
H -2.819512 -2.440570 1.474059
H -2.399954 -3.979102 0.613583
H -5.059636 -0.577451 2.034704
H -5.827605 -1.345646 0.624147
H -5.991306 0.396741 0.871817


%chk=000215371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215371

0 1
S 5.948348 -0.545089 1.385979
S 2.546496 -0.513145 -2.677653
O -1.413706 2.117360 1.291432
O -1.692678 -2.687675 -0.112050
O -2.959477 -0.404029 1.279617
O -4.324725 0.203375 -0.535390
N 3.319135 0.459839 -0.235085
C 3.273088 0.456649 1.253631
C 4.663353 0.748386 -0.795949
C 4.118884 -0.693880 1.839229
C 5.674669 -0.368089 -0.482813
C 2.313378 -0.048475 -1.034222
C 0.935202 -0.132239 -0.446350
C 0.190784 -1.325665 -0.558684
C 0.335589 1.004472 0.148418
C -0.985780 0.948076 0.643669
C -1.124308 -1.407633 -0.051084
C -1.724100 -0.267446 0.560180
C -2.793363 2.606224 1.123146
C -3.113047 -2.862643 -0.460673
C -4.210201 -0.148307 0.652273
C -5.320605 -0.379266 1.650055
H 2.229438 0.348096 1.585103
H 3.657379 1.426854 1.621326
H 5.014347 1.703986 -0.362456
H 4.550653 0.852640 -1.889413
H 4.085224 -0.668131 2.941249
H 3.743182 -1.670371 1.488379
H 5.332774 -1.332643 -0.891866
H 6.664522 -0.124890 -0.902548
H 0.615326 -2.205342 -1.048125
H 0.862949 1.960276 0.216415
H -3.471317 2.131245 1.854754
H -3.157433 2.436356 0.094881
H -2.737519 3.686394 1.329183
H -3.437179 -2.120918 -1.211354
H -3.749145 -2.803092 0.440799
H -3.177577 -3.877339 -0.883072
H -5.142891 0.209280 2.566255
H -5.342020 -1.441668 1.951404
H -6.286643 -0.103831 1.203809


