%chk=000115611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115611

0 1
S -5.025665 -0.837540 -0.366252
S -5.426677 0.815865 0.790099
O -4.224974 0.601418 1.940003
O -5.095482 1.994406 0.066215
O -6.654330 0.625712 1.487571
N 0.170090 -0.614967 -0.140715
C 3.912187 0.234173 -0.130595
C 2.632042 -0.549312 0.235696
C 5.113542 -0.126506 0.773877
C 3.753765 1.765646 0.028924
C 6.019958 1.116691 0.798761
C 5.152282 2.314975 0.365766
C 1.476175 -0.171604 -0.723014
C 2.854958 -2.077553 0.237465
C 3.404591 -2.642365 -1.070022
C -0.982475 -0.181641 -0.989340
C -2.290685 -0.629642 -0.310777
C -3.480008 -0.358885 -1.215895
H 4.181940 0.011492 -1.188994
H 2.338166 -0.259599 1.276734
H 4.775098 -0.373932 1.794994
H 5.647254 -1.013424 0.398709
H 3.351574 2.226404 -0.886310
H 3.044688 2.004725 0.840074
H 6.448204 1.274367 1.801772
H 6.875181 0.990125 0.113448
H 5.596150 2.819446 -0.508895
H 5.094721 3.073219 1.163673
H 1.496002 0.916455 -0.945172
H 1.612697 -0.695702 -1.695634
H 3.529868 -2.348784 1.071315
H 1.882116 -2.566906 0.462015
H 0.066771 -0.228249 0.804704
H 2.757871 -2.385045 -1.917860
H 3.466805 -3.735578 -1.027874
H 4.408091 -2.263201 -1.290643
H -0.877793 -0.675917 -1.980984
H -1.004704 0.914203 -1.176738
H -2.406334 -0.110331 0.667129
H -2.220403 -1.710486 -0.057922
H -3.439062 -0.968430 -2.142892
H -3.530073 0.703671 -1.535767
H -4.495820 0.629309 2.873548


%chk=000115611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115611

0 1
S -5.024905 -1.389286 -0.526813
S -5.682598 0.716087 0.615331
O -4.968145 0.287725 2.289110
O -4.775900 1.914290 -0.005561
O -7.269902 0.957561 0.809769
N 0.213742 -0.441780 -0.075167
C 4.009676 0.307138 -0.115480
C 2.691506 -0.391030 0.317532
C 5.263423 -0.133698 0.689576
C 3.997273 1.866225 0.044987
C 6.293439 0.981438 0.397420
C 5.450598 2.287811 0.451112
C 1.501448 0.098459 -0.549366
C 2.790227 -1.944653 0.335336
C 3.137544 -2.603361 -1.019191
C -0.973985 -0.177310 -0.896157
C -2.212952 -0.902903 -0.327950
C -3.444340 -0.641350 -1.205120
H 4.198186 0.070579 -1.184696
H 2.490445 -0.067402 1.366385
H 5.023333 -0.154777 1.773043
H 5.626072 -1.138828 0.409169
H 3.674547 2.366562 -0.885740
H 3.276011 2.160716 0.832738
H 7.138438 0.988918 1.109194
H 6.715778 0.839581 -0.616788
H 5.859570 3.072915 -0.209741
H 5.455237 2.696572 1.478754
H 1.494696 1.214624 -0.567672
H 1.641547 -0.230445 -1.598338
H 3.546234 -2.242093 1.087677
H 1.818513 -2.344505 0.683148
H 0.055008 -0.293497 0.930153
H 2.376687 -2.379123 -1.789021
H 3.180210 -3.702705 -0.911570
H 4.119020 -2.269407 -1.403409
H -0.765221 -0.533794 -1.925782
H -1.203834 0.916098 -0.980423
H -2.417372 -0.543203 0.699678
H -2.001564 -1.985732 -0.260216
H -3.342030 -1.058552 -2.225500
H -3.633131 0.449100 -1.312387
H -5.414225 0.883740 2.962170


