%chk=000280895.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280895

0 1
S 5.688707 -0.277990 0.301110
O 0.741606 -0.789790 0.714069
O 0.648339 2.435387 0.887688
O 0.850665 0.743493 -2.208561
O 4.108854 -0.110583 -0.297108
O 6.074037 0.984309 0.846617
O 5.691817 -1.485548 1.068132
N -1.526527 -0.423677 0.404127
N -3.014372 -2.065799 -0.212215
N -3.086318 1.542967 0.331049
N -5.361903 0.904204 -0.311909
N -5.988382 -1.317494 -0.824938
N 6.439286 -0.511059 -1.191471
C 0.112760 1.446755 0.014650
C 1.284359 0.959140 -0.877298
C -0.273554 0.210507 0.879969
C 1.776390 -0.347068 -0.216650
C 3.030578 -0.152074 0.648914
C -2.757410 0.214133 0.208546
C -1.750399 -1.820339 0.139721
C -3.673770 -0.824091 -0.179861
C -5.021243 -0.429806 -0.442009
C -4.395886 1.800399 0.058642
H -0.726717 1.863175 -0.584886
H 2.085256 1.729809 -0.987433
H -0.332505 0.424798 1.974654
H 1.900830 -1.179139 -0.941616
H 3.157719 -1.005314 1.346973
H 3.009726 0.802414 1.211674
H -0.057835 3.078508 1.139384
H 0.126742 0.078527 -2.253731
H -0.943073 -2.537708 0.236376
H -4.724504 2.851275 0.143914
H -5.774344 -2.300269 -0.906029
H -6.935491 -1.011545 -0.987033
H 6.240200 -1.344085 -1.739335
H 6.616460 0.284476 -1.800524


%chk=000280895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280895

0 1
S 5.411615 -0.604275 -0.369806
O 0.714804 -0.957726 0.942378
O -0.128379 2.293139 -0.581640
O 2.533122 0.911420 -1.666041
O 4.290285 0.167513 0.978934
O 6.920696 -0.648126 0.181248
O 4.634737 -1.927204 -0.880243
N -1.566244 -0.397370 0.584258
N -3.359849 -1.812671 0.806291
N -2.715077 1.528272 -0.512385
N -5.103741 1.103610 -0.853713
N -6.154622 -0.909563 -0.208906
N 5.307173 0.647989 -1.595375
C 0.281669 0.921002 -0.527198
C 1.811624 0.781588 -0.393051
C -0.210779 0.160379 0.738745
C 2.015248 -0.611415 0.270906
C 3.122457 -0.647334 1.348120
C -2.665706 0.279311 0.049977
C -2.043028 -1.645775 1.029651
C -3.761890 -0.610114 0.196193
C -5.023222 -0.151160 -0.286968
C -3.974559 1.859894 -0.935760
H -0.061282 0.334196 -1.415719
H 2.204959 1.596500 0.234322
H -0.195291 0.845709 1.612061
H 2.208022 -1.380346 -0.498752
H 3.414068 -1.687740 1.579481
H 2.762401 -0.161879 2.275124
H -1.155408 2.278489 -0.641088
H 2.033894 0.460068 -2.391748
H -1.376582 -2.374578 1.481524
H -4.087478 2.846105 -1.393955
H -6.115708 -1.839547 0.204259
H -7.029547 -0.532423 -0.568657
H 4.304672 0.911239 -1.759902
H 5.997047 1.393721 -1.438963


