%chk=000210355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210355

0 1
S 6.235155 1.516395 0.145173
S 7.083949 -0.195434 -0.615445
O -6.423650 1.569099 -0.017353
O 5.923436 -0.516457 -1.785584
O 8.269446 0.130399 -1.334528
O 6.997590 -1.243211 0.342049
N 2.475424 0.163591 0.904861
C -1.273007 -0.307696 0.241329
C 0.069140 -0.394474 0.976129
C -2.415291 -0.879920 1.095472
C 1.202924 0.189178 0.117611
C -3.721995 -0.795185 0.353031
C 3.643378 0.620341 0.088099
C -4.522865 0.340675 0.476714
C -4.133826 -1.859765 -0.473213
C 4.795471 0.874006 1.058178
C -5.738903 0.392847 -0.233171
C -5.341840 -1.782297 -1.164045
C -6.165906 -0.655670 -1.056286
C -7.695458 1.745684 -0.685805
H -1.220253 -0.852653 -0.721844
H -1.499101 0.745719 -0.019740
H 0.016058 0.154264 1.939139
H 0.289871 -1.445689 1.243101
H -2.194929 -1.930587 1.373372
H -2.479929 -0.331993 2.058143
H 0.979428 1.250995 -0.132018
H 1.275738 -0.358733 -0.846788
H 2.650627 -0.788018 1.249284
H 3.368690 1.562554 -0.439911
H 3.938118 -0.107888 -0.704949
H -4.234052 1.181146 1.102048
H -3.506965 -2.741234 -0.570914
H 4.518507 1.647282 1.809271
H 5.065706 -0.032723 1.638738
H -5.654932 -2.610624 -1.800351
H -7.101746 -0.612163 -1.598846
H -7.998024 2.740505 -0.333754
H -8.406083 0.981411 -0.358658
H -7.558631 1.738612 -1.770809
H 6.240428 -0.739889 -2.676630


%chk=000210355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210355

0 1
S 6.181659 1.814768 0.042120
S 7.604235 -0.218815 -0.148542
O -6.655951 1.611465 0.248658
O 7.535013 -0.380503 -2.003123
O 9.164679 -0.065957 0.253047
O 6.750022 -1.441370 0.498806
N 2.450894 0.095246 0.461112
C -1.374512 -0.336497 0.085977
C 0.025806 -0.398810 0.734095
C -2.486220 -0.892329 1.018862
C 1.128916 0.156711 -0.187721
C -3.868997 -0.811389 0.387906
C 3.596031 0.694163 -0.231069
C -4.679966 0.326807 0.587222
C -4.349730 -1.858525 -0.445782
C 4.729842 0.910882 0.791541
C -5.949815 0.429344 -0.032988
C -5.614315 -1.753709 -1.060006
C -6.428518 -0.613048 -0.864083
C -7.979213 1.770005 -0.357695
H -1.378650 -0.908371 -0.863616
H -1.619127 0.711682 -0.178705
H 0.031335 0.174708 1.681538
H 0.260698 -1.452350 0.997457
H -2.245371 -1.944350 1.269862
H -2.468192 -0.322486 1.968447
H 0.915669 1.217686 -0.426651
H 1.114059 -0.396555 -1.158962
H 2.655570 -0.808361 0.905978
H 3.274208 1.667166 -0.649020
H 3.985789 0.088293 -1.081443
H -4.347922 1.150852 1.228671
H -3.735218 -2.752999 -0.602373
H 4.387889 1.490300 1.668623
H 5.113043 -0.067788 1.152255
H -5.980856 -2.567115 -1.696738
H -7.408065 -0.553463 -1.347522
H -8.339722 2.748817 -0.008608
H -8.674779 0.975595 -0.023021
H -7.919960 1.767623 -1.463834
H 8.351438 -0.894924 -2.279574


