%chk=000237474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237474

0 1
S 1.815553 0.485055 -0.538606
O 2.180715 -0.769245 -1.177641
O 2.219308 1.730573 -1.162623
N 2.416099 0.543210 1.076633
C 0.097016 0.470674 -0.290435
C 3.716910 1.243885 1.254120
C 2.202560 -0.659620 1.923949
C -0.639393 -0.643153 -0.611526
C -2.055235 -0.652886 -0.418158
C -0.536634 1.634852 0.225960
C -2.689153 0.505498 0.105842
C -1.895534 1.652834 0.422529
C 4.918187 0.559366 0.603936
C 2.940445 -1.919993 1.478053
C -2.848065 -1.800723 -0.742300
C -4.108243 0.493890 0.300414
C -4.205267 -1.783513 -0.546188
C -4.841977 -0.620654 -0.017620
H 3.595577 2.272319 0.829839
H 3.896793 1.370854 2.345426
H 2.499140 -0.401584 2.967523
H 1.104399 -0.852488 1.959061
H -0.155634 -1.538141 -1.024567
H 0.071659 2.514374 0.457583
H -2.389986 2.539676 0.816502
H 5.031080 -0.480857 0.943804
H 4.834862 0.531936 -0.491505
H 5.847333 1.090052 0.838372
H 2.681653 -2.207559 0.444025
H 4.031124 -1.774665 1.487548
H 2.708713 -2.769747 2.126266
H -2.350805 -2.681942 -1.148002
H -4.587711 1.385426 0.702197
H -4.818009 -2.650185 -0.790013
H -5.922478 -0.637919 0.126101


%chk=000237474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237474

0 1
S 1.856322 0.435622 -0.575038
O 2.183735 -0.970235 -1.353460
O 2.307779 1.860128 -1.226386
N 2.488733 0.496634 1.179868
C -0.006041 0.455863 -0.266389
C 3.797297 1.206749 1.282133
C 2.248521 -0.764388 1.933873
C -0.730005 -0.671451 -0.622577
C -2.153052 -0.656996 -0.441166
C -0.584873 1.644870 0.255709
C -2.781024 0.531983 0.104314
C -1.967865 1.668086 0.439390
C 4.996490 0.660821 0.470822
C 3.179103 -1.976210 1.688431
C -2.967791 -1.784818 -0.786964
C -4.203089 0.541138 0.284648
C -4.351290 -1.744041 -0.599679
C -4.972674 -0.573036 -0.059097
H 3.614284 2.253620 0.982973
H 4.025225 1.207813 2.366736
H 2.283503 -0.467108 3.001305
H 1.199822 -1.058815 1.734281
H -0.218800 -1.542374 -1.049417
H 0.046346 2.505488 0.494049
H -2.450469 2.565976 0.841829
H 5.253647 -0.377262 0.733898
H 4.780927 0.705530 -0.610743
H 5.880740 1.297209 0.662220
H 3.201473 -2.239095 0.617351
H 4.209188 -1.782127 2.033249
H 2.795744 -2.846167 2.254285
H -2.489016 -2.678422 -1.203570
H -4.680701 1.438376 0.695451
H -4.968385 -2.608295 -0.867443
H -6.058803 -0.555468 0.081616


