%chk=000291565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291565

0 1
S 2.981095 0.078999 1.605436
S -2.981163 0.079203 -1.605298
O 3.291460 1.424078 1.995149
O 3.071158 -0.991368 2.579524
O -3.290808 1.424111 -1.996173
O -3.071823 -0.991968 -2.578445
O 1.513411 1.421267 -0.632911
O -1.512837 1.422532 0.631936
N 1.267195 0.039271 1.152301
N -1.267288 0.038956 -1.152136
C 3.809825 -0.379297 0.175188
C -3.810087 -0.377382 -0.174618
C 0.768335 0.802693 0.102931
C -0.768057 0.802980 -0.103380
C 0.329061 -0.666796 2.060094
C -0.329511 -0.668343 -2.059341
C 4.108046 0.569324 -0.809457
C -4.107675 0.572261 0.809231
C 4.224080 -1.709854 0.016982
C -4.225107 -1.707560 -0.015237
C 4.813395 0.186646 -1.956057
C -4.813176 0.190988 1.956206
C 4.925810 -2.091192 -1.126586
C -4.926992 -2.087497 1.128703
C 5.220409 -1.140377 -2.113736
C -5.220968 -1.135657 2.115051
H -0.275760 -1.405734 1.508911
H -0.351449 0.043403 2.566691
H 0.888665 -1.217334 2.845787
H -0.889389 -1.219191 -2.844621
H 0.274881 -1.407182 -1.507554
H 0.351410 0.041080 -2.566474
H 3.779434 1.612479 -0.692035
H -3.778432 1.615113 0.690897
H 4.004803 -2.449200 0.796580
H -4.006314 -2.447706 -0.794210
H 5.041912 0.926983 -2.722575
H -5.041196 0.932118 2.722106
H 5.249284 -3.123665 -1.250533
H -5.251064 -3.119672 1.253563
H 5.771295 -1.439412 -3.007204
H -5.771969 -1.433598 3.008813


%chk=000291565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291565

0 1
S 3.217027 0.523242 1.493470
S -3.216644 0.523877 -1.493454
O 3.621223 2.086809 1.466421
O 3.435880 -0.360822 2.843767
O -3.619814 2.087728 -1.467471
O -3.436108 -0.360951 -2.843152
O 1.500935 1.355176 -0.849717
O -1.499535 1.357599 0.848434
N 1.264673 0.292991 1.216199
N -1.264424 0.292526 -1.216136
C 4.030313 -0.405458 0.061150
C -4.030530 -0.403312 -0.060495
C 0.781004 0.847979 0.062437
C -0.780144 0.848714 -0.063206
C 0.530101 -0.215847 2.379223
C -0.530429 -0.218515 -2.378559
C 4.328170 0.310303 -1.108012
C -4.327995 0.313447 1.108154
C 4.353734 -1.753941 0.281438
C -4.354799 -1.751742 -0.279860
C 4.998392 -0.393340 -2.135396
C -4.998707 -0.389061 2.135995
C 5.016299 -2.436170 -0.765670
C -5.017835 -2.432829 0.767693
C 5.334327 -1.757902 -1.966119
C -5.335487 -1.753530 1.967658
H -0.085715 -1.088378 2.096234
H -0.109673 0.567297 2.816533
H 1.281365 -0.546826 3.122208
H -1.282065 -0.549856 -3.121006
H 0.084665 -1.091199 -2.094471
H 0.109965 0.563494 -2.816990
H 4.043115 1.360360 -1.210610
H -4.042306 1.363399 1.210034
H 4.120221 -2.238099 1.234718
H -4.121549 -2.236707 -1.232794
H 5.252190 0.126448 -3.064604
H -5.252222 0.131536 3.064828
H 5.289020 -3.488457 -0.636353
H -5.291210 -3.485035 0.639093
H 5.851947 -2.292853 -2.769611
H -5.853477 -2.287598 2.771498


