%chk=000218168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218168

0 1
S -3.296972 -0.429574 -1.101863
S -2.880727 1.498998 -0.512046
O 1.617185 -1.938616 -0.443973
O -2.967215 2.167783 -2.033634
O -3.910675 2.036109 0.299604
O -1.496164 1.592048 -0.133576
N -1.357427 -3.032868 -0.153562
N -0.643378 -1.049493 1.087265
C 2.068161 -0.761987 -1.167658
C 0.895392 -2.899073 -1.256696
C 2.505600 0.191863 -0.088344
C -0.021755 -3.634228 -0.266226
C 1.689013 1.272090 0.275266
C 3.732031 -0.008360 0.562235
C -1.563105 -1.867025 0.392701
C -2.997558 -1.390781 0.409877
C 2.107331 2.154535 1.275087
C 4.144156 0.876429 1.562379
C 3.334302 1.960068 1.917709
H 1.647362 -3.574344 -1.699884
H 0.328626 -2.395061 -2.057112
H 1.240144 -0.363375 -1.780919
H 2.901154 -1.064690 -1.827762
H 0.492274 -3.719606 0.720826
H -0.194652 -4.677219 -0.626184
H 0.720981 1.429159 -0.210024
H 4.355536 -0.860513 0.295220
H -3.261533 -0.853313 1.341163
H -3.696409 -2.265946 0.367495
H 1.470176 2.992109 1.556069
H 5.095569 0.719099 2.067469
H 3.656607 2.648606 2.696571
H 0.352473 -1.258906 0.928250
H -0.801114 -0.043864 1.090123
H -2.192989 2.682245 -2.330244


%chk=000218168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218168

0 1
S -3.203867 -0.308016 -1.452200
S -2.982924 1.736418 0.026743
O 1.526556 -2.011393 -0.258955
O -1.494586 2.490652 -0.836001
O -4.111614 2.899476 0.065352
O -2.453892 1.145036 1.455182
N -1.415875 -3.212227 -0.476318
N -0.883139 -1.275747 0.890373
C 2.297180 -1.031709 -1.075500
C 1.068058 -3.189839 -1.019885
C 2.605244 0.165243 -0.206314
C -0.097517 -3.845384 -0.247315
C 1.665161 1.220299 -0.078232
C 3.823629 0.232565 0.515521
C -1.712951 -2.069749 0.133053
C -3.124649 -1.561018 -0.050046
C 1.938574 2.318202 0.767738
C 4.100882 1.333536 1.356108
C 3.156351 2.378823 1.484806
H 1.908405 -3.909435 -1.110856
H 0.734432 -2.891466 -2.035824
H 1.681082 -0.748382 -1.953930
H 3.224937 -1.524510 -1.431560
H 0.187394 -3.866689 0.828810
H -0.178488 -4.890828 -0.595844
H 0.718672 1.196221 -0.631913
H 4.552751 -0.581674 0.421883
H -3.509045 -1.077514 0.866814
H -3.795167 -2.385839 -0.344852
H 1.200186 3.121280 0.863806
H 5.046261 1.376758 1.908236
H 3.368122 3.232886 2.138019
H 0.139205 -1.420617 0.810071
H -1.250949 -0.393734 1.277043
H -1.656020 3.480676 -0.848410


