%chk=000193131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193131

0 1
S 1.334938 0.883277 1.503102
O 5.161265 -1.679628 0.358822
O -4.488633 -1.376285 1.398339
O -4.537722 -1.730117 -0.808412
N 3.111017 -1.225548 -0.689508
N 4.457901 0.529339 -0.045833
C 2.238854 -0.032699 -0.850038
C 3.169258 1.175126 -0.423535
C 0.963288 -0.098613 0.007832
C 2.534500 1.984715 0.702878
C -0.257387 0.463379 -0.715287
C -1.548816 0.264880 0.089811
C 4.329964 -0.893120 -0.034942
C -2.766096 0.778168 -0.689451
C -4.079146 0.544436 0.078477
C -5.256592 1.269178 -0.572295
C -4.386029 -0.942551 0.093291
H 1.981427 0.056629 -1.936560
H 3.370740 1.830213 -1.309731
H 0.755280 -1.141716 0.349440
H 3.262622 2.333001 1.458895
H 2.027218 2.890092 0.321332
H -0.117412 1.540049 -0.940650
H -0.362101 -0.036853 -1.702580
H 2.693305 -2.138829 -0.552350
H 5.029167 0.968992 0.670273
H -1.476020 0.791762 1.064004
H -1.680276 -0.807118 0.338155
H -2.654076 1.861727 -0.893131
H -2.823052 0.290066 -1.684731
H -3.964225 0.901561 1.136933
H -6.187331 1.114949 -0.011095
H -5.080797 2.351084 -0.615204
H -5.432466 0.923433 -1.600651
H -4.701269 -2.343481 1.472397


%chk=000193131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193131

0 1
S 1.448377 0.738110 1.667019
O 5.530147 -1.446217 0.269172
O -5.396222 -1.209388 1.154489
O -4.089479 -1.813269 -0.663083
N 3.293117 -1.200990 -0.515432
N 4.452507 0.651368 -0.068544
C 2.324041 -0.141224 -0.803520
C 3.148077 1.180650 -0.475063
C 1.030874 -0.210792 0.065400
C 2.418600 1.984191 0.632612
C -0.210286 0.360047 -0.651792
C -1.524892 0.154351 0.128306
C 4.536211 -0.746638 -0.059974
C -2.741640 0.765651 -0.601268
C -4.083442 0.546376 0.134549
C -5.240231 1.368152 -0.505422
C -4.474291 -0.927223 0.132667
H 2.027847 -0.156669 -1.872274
H 3.242972 1.815992 -1.378154
H 0.843891 -1.254532 0.378512
H 3.125813 2.503198 1.299149
H 1.721750 2.719591 0.194609
H -0.060506 1.440201 -0.856623
H -0.300483 -0.139480 -1.640840
H 3.099463 -2.194646 -0.603789
H 5.234456 1.222181 0.240297
H -1.422050 0.607476 1.134640
H -1.690252 -0.932008 0.272637
H -2.588711 1.857127 -0.720791
H -2.820317 0.333932 -1.618445
H -3.988902 0.856066 1.193457
H -6.192148 1.198838 0.025965
H -5.000579 2.445177 -0.456857
H -5.375022 1.093127 -1.567290
H -5.657392 -2.169226 1.103677


