%chk=000235633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235633

0 1
S 2.374084 1.348864 -1.140921
S -2.374995 -1.357386 -1.130167
O 1.647630 2.340619 -0.363556
O 2.699744 1.635799 -2.525209
O -1.648361 -2.343635 -0.345986
O -2.700977 -1.654174 -2.512285
N 1.470678 -0.132420 -1.156003
N -1.471616 0.123781 -1.155993
C 0.678763 -0.375930 -2.393475
C 0.664405 -0.395067 0.067090
C -0.680443 0.358782 -2.395589
C -0.664600 0.394810 0.064785
C 3.802044 0.899541 -0.271031
C -3.802700 -0.901920 -0.263044
C 4.684204 -0.016039 -0.789975
C -4.682985 0.013036 -0.786257
C 4.050872 1.511713 0.990447
C -4.053344 -1.508508 1.000773
C 5.863548 -0.373325 -0.064197
C -5.862212 0.375209 -0.062714
C 6.111034 0.233315 1.196045
C -6.111556 -0.225939 1.199790
C 5.174944 1.188023 1.707189
C -5.177361 -1.180076 1.715441
C 6.799172 -1.327034 -0.579498
C -6.795903 1.328388 -0.582486
C 7.292228 -0.125807 1.921322
C -7.292659 0.138035 1.922797
C 7.922802 -1.652359 0.136823
C -7.919486 1.658441 0.131743
C 8.171074 -1.043238 1.403041
C -8.169636 1.054817 1.400222
H 1.278375 -0.072794 -3.285266
H 0.526384 -1.477679 -2.482911
H 0.453546 -1.496875 0.108991
H 1.258715 -0.158771 0.973603
H -1.280582 0.049505 -3.284913
H -0.528120 1.459889 -2.492672
H -0.453724 1.496878 0.098991
H -1.258358 0.164705 0.973254
H 4.506906 -0.487844 -1.762541
H -4.504239 0.480696 -1.760550
H 3.333139 2.247884 1.372540
H -3.336961 -2.244145 1.386433
H 5.374647 1.652863 2.671882
H -5.378439 -1.640640 2.681897
H 6.599545 -1.785584 -1.548217
H -6.594853 1.782718 -1.552897
H 7.476014 0.343561 2.886808
H -7.477882 -0.327151 2.890030
H 8.641088 -2.376346 -0.245652
H -8.636312 2.382069 -0.254134
H 9.073124 -1.322361 1.948137
H -9.071604 1.337607 1.943562


%chk=000235633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235633

0 1
S 2.448349 1.350550 -1.225323
S -2.447085 -1.354540 -1.213708
O 1.711717 2.547828 -0.372494
O 2.849565 1.573378 -2.790649
O -1.710185 -2.546890 -0.354284
O -2.848493 -1.585415 -2.777895
N 1.464474 -0.313998 -1.204637
N -1.462693 0.309903 -1.201195
C 0.647707 -0.425498 -2.450227
C 0.650656 -0.427981 0.042627
C -0.649668 0.417441 -2.449570
C -0.645123 0.427629 0.043288
C 3.972302 0.851428 -0.234056
C -3.971607 -0.850921 -0.225655
C 4.880240 -0.025177 -0.809596
C -4.881968 0.018759 -0.807809
C 4.130827 1.440665 1.049003
C -4.127902 -1.429928 1.062316
C 6.051928 -0.378975 -0.063358
C -6.053977 0.375999 -0.063710
C 6.247545 0.193287 1.256471
C -6.247251 -0.185613 1.261024
C 5.270416 1.103408 1.781854
C -5.267692 -1.089150 1.793213
C 7.033197 -1.283556 -0.588860
C -7.037814 1.273778 -0.596052
C 7.421887 -0.165321 1.997248
C -7.421851 0.176470 1.999696
C 8.165156 -1.612828 0.158744
C -8.169980 1.606642 0.149648
C 8.360471 -1.049370 1.461080
C -8.362938 1.053756 1.456853
H 1.288093 -0.138274 -3.302550
H 0.407886 -1.502994 -2.547114
H 0.386143 -1.500128 0.123284
H 1.282803 -0.163455 0.909484
H -1.292511 0.127468 -3.299093
H -0.410223 1.494651 -2.550462
H -0.380442 1.500048 0.119798
H -1.274584 0.165671 0.912856
H 4.713541 -0.435197 -1.811288
H -4.717070 0.420585 -1.813118
H 3.380812 2.148308 1.415924
H -3.376257 -2.133126 1.434407
H 5.430220 1.539875 2.774269
H -5.425812 -1.517746 2.789322
H 6.881324 -1.712160 -1.586036
H -6.887746 1.694299 -1.596938
H 7.573296 0.265625 2.993829
H -7.571448 -0.246414 2.999994
H 8.910875 -2.304231 -0.247646
H -8.917666 2.292797 -0.261989
H 9.254073 -1.316972 2.035186
H -9.256713 1.324111 2.029396


