%chk=000186265.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186265

0 1
S 0.515574 -0.548603 1.467825
S -0.687652 2.039874 0.507875
O 4.667081 -0.572846 0.183393
N -1.919646 -0.311730 0.469038
N 2.890336 0.523606 0.820407
N 3.827381 -0.407456 1.026457
C -2.047571 -1.779019 0.722277
C -3.115512 0.341258 -0.154345
C -0.819522 0.397939 0.765079
C -1.476974 -2.594078 -0.432568
C -4.070577 0.863127 0.912335
C 1.849407 0.661311 1.838136
C 2.784203 1.371659 -0.393898
H -1.555900 -2.053889 1.686087
H -3.127666 -2.017518 0.867330
H -2.785503 1.177527 -0.821033
H -3.618749 -0.403106 -0.810901
H -1.974274 -2.370625 -1.384230
H -0.403002 -2.408074 -0.582334
H -1.590187 -3.669582 -0.245040
H -4.425807 0.074607 1.583915
H -3.590403 1.633553 1.536609
H -4.949327 1.331588 0.451568
H 1.451159 1.706651 1.879443
H 2.228806 0.390894 2.852955
H 3.539320 1.064524 -1.140418
H 2.955883 2.431350 -0.144984
H 1.785623 1.285159 -0.857978


%chk=000186265-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186265

0 1
S 0.557256 -0.649653 1.453035
S -0.704618 2.116602 0.602258
O 5.093404 -0.076727 0.470061
N -1.951691 -0.310073 0.472041
N 2.987820 0.649779 0.878456
N 4.142876 -0.016754 1.324729
C -2.079864 -1.782038 0.674033
C -3.149998 0.362872 -0.108569
C -0.837309 0.416664 0.788044
C -1.640005 -2.596459 -0.560879
C -4.116795 0.872893 0.978866
C 1.904439 0.659760 1.829991
C 2.834794 1.183212 -0.484274
H -1.493545 -2.077685 1.561567
H -3.141396 -1.981087 0.909213
H -2.798718 1.205868 -0.727386
H -3.648527 -0.372780 -0.766504
H -2.224465 -2.315588 -1.455394
H -0.570625 -2.434531 -0.776767
H -1.795831 -3.674567 -0.375185
H -4.467196 0.050614 1.628937
H -3.617660 1.631672 1.604370
H -5.001319 1.337876 0.507221
H 1.358354 1.621735 1.817678
H 2.295020 0.400818 2.824038
H 3.779298 0.991740 -1.020107
H 2.626593 2.265842 -0.450873
H 1.996209 0.678096 -0.995599


