%chk=000235733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235733

0 1
S -5.235935 1.418721 -0.055704
O -3.890537 0.434355 0.084025
O -6.242686 0.181425 0.415215
O -5.182010 2.417299 0.957407
O -5.472093 1.725080 -1.421862
N -0.282811 0.475833 0.646251
C 0.603826 -0.115823 -0.391650
C 1.860003 0.733316 -0.584903
C 1.191193 -1.499530 -0.099545
C 3.029479 -0.077225 -0.476442
C 2.616547 -1.455348 -0.171327
C -1.659820 -0.101840 0.611023
C 0.325919 0.452264 2.017169
C 1.956766 2.086750 -0.851810
C 0.538640 -2.685873 0.180262
C 4.289020 0.476716 -0.650167
C 3.372176 -2.599494 0.036959
C -2.590971 1.061512 0.228134
C -0.402491 1.430874 2.936339
C 3.238594 2.644489 -1.023815
C 1.309781 -3.845343 0.395108
C 4.382655 1.853275 -0.927482
C 2.701041 -3.802649 0.323763
H 0.037294 -0.149069 -1.361485
H -1.973757 -0.530933 1.586391
H -1.775851 -0.923527 -0.128390
H 0.334167 -0.567065 2.460788
H 1.392844 0.763177 1.919750
H 1.065570 2.708167 -0.917524
H -0.545761 -2.737321 0.234525
H 5.185956 -0.132523 -0.574720
H 4.457555 -2.573470 -0.019383
H -2.316048 1.511785 -0.742601
H -2.639091 1.834807 1.017162
H -0.472424 2.427053 2.478732
H -1.422568 1.107761 3.169695
H 0.133578 1.542560 3.885900
H 3.331194 3.708987 -1.234477
H 0.806454 -4.785038 0.617218
H 5.365114 2.302061 -1.066756
H 3.281228 -4.709339 0.490106
H -5.797641 -0.668258 0.613320


%chk=000235733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235733

0 1
S -4.740012 2.388243 -0.761529
O -3.841795 0.784700 0.031554
O -6.076849 2.304441 0.510422
O -3.786454 3.669101 -0.512322
O -5.442315 2.197989 -2.195257
N -0.512484 -0.552533 0.996088
C 0.439878 -0.704110 -0.116792
C 1.401545 0.473700 -0.392547
C 1.422501 -1.879163 0.051239
C 2.747597 0.005592 -0.451345
C 2.760137 -1.447099 -0.176811
C -1.932576 -0.524158 0.731987
C -0.004178 -0.299181 2.359042
C 1.105623 1.829865 -0.610252
C 1.137612 -3.217263 0.363661
C 3.804731 0.897107 -0.734079
C 3.827423 -2.368599 -0.110412
C -2.405593 0.864003 0.109825
C -0.187548 1.144351 2.888165
C 2.167603 2.727355 -0.889054
C 2.209796 -4.142685 0.438445
C 3.504524 2.262632 -0.951662
C 3.541314 -3.719882 0.198336
H -0.170125 -0.881886 -1.027597
H -2.489267 -0.681984 1.672230
H -2.229640 -1.312251 0.016330
H -0.500266 -1.004806 3.057783
H 1.070556 -0.554420 2.358543
H 0.076167 2.201846 -0.566243
H 0.108041 -3.541358 0.553620
H 4.840865 0.544842 -0.786954
H 4.860349 -2.050867 -0.290886
H -1.946444 0.967205 -0.893771
H -2.071217 1.693428 0.760854
H 0.315413 1.875020 2.232400
H -1.255338 1.417477 2.969544
H 0.253651 1.225763 3.898899
H 1.951638 3.787417 -1.060738
H 2.009508 -5.192018 0.681303
H 4.312554 2.969215 -1.171196
H 4.357622 -4.448436 0.256458
H -5.730448 1.630004 1.167918


