%chk=000255305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255305

0 1
S 2.997828 1.649723 -1.496752
S -1.711574 0.910281 0.388606
S 5.317530 0.327380 -2.837480
S -2.084969 -1.971378 1.182569
O 3.204854 -0.596587 1.613393
O -5.516309 1.326041 -0.336601
N 4.303929 -0.317008 -0.420616
N -4.043098 -0.349358 0.350233
N -0.763773 2.523446 0.083489
C 5.254794 -1.401256 -0.197550
C -5.063728 -1.382660 0.462091
C 2.436196 1.113848 0.074490
C -3.163526 1.814789 -0.112554
C 3.285068 -0.009452 0.569158
C -4.390108 0.984089 -0.072643
C 0.580643 2.744773 0.239463
C -1.586648 3.542815 -0.355539
C 1.391017 1.614608 0.734335
C -2.975175 3.101223 -0.457792
C 4.323166 0.442134 -1.583054
C -2.697629 -0.577467 0.653788
C 4.772153 -2.714093 -0.095763
C 6.620630 -1.106628 -0.077925
C -4.935110 -2.565720 -0.281580
C -6.163106 -1.167575 1.307303
C 1.127134 4.004517 -0.036628
C -1.073236 4.821695 -0.645352
C 0.290329 5.042732 -0.480648
C 5.684538 -3.748480 0.128523
C 7.515395 -2.157478 0.140647
C -5.921560 -3.547596 -0.160577
C -7.141572 -2.159775 1.408340
C 7.051221 -3.473278 0.244155
C -7.021824 -3.347894 0.680173
H 1.071744 1.188899 1.703944
H -3.754888 3.783097 -0.787995
H 3.706424 -2.925408 -0.180965
H 6.981652 -0.082222 -0.159411
H -4.077202 -2.723922 -0.934629
H -6.258432 -0.239001 1.867709
H 2.197156 4.180142 0.094482
H -1.739513 5.612262 -0.990975
H 0.719592 6.024337 -0.697080
H 5.325093 -4.774174 0.213055
H 8.580904 -1.947046 0.231104
H -5.829643 -4.474251 -0.726015
H -8.000584 -2.003981 2.059752
H 7.756008 -4.285816 0.416036
H -7.785588 -4.118328 0.767588


%chk=000255305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255305

0 1
S 4.288232 2.494837 -0.856710
S -2.145139 -0.442442 0.324775
S 7.317930 1.955560 -1.031523
S -3.453007 -3.146976 1.035946
O 3.461096 -1.240640 0.113331
O -5.632007 1.422997 0.169369
N 5.354330 0.112944 -0.354318
N -4.796181 -0.767880 0.553421
N -0.477294 1.819755 -0.294679
C 6.295649 -0.975833 -0.141463
C -6.116109 -1.347555 0.739819
C 3.164709 1.128919 -0.431357
C -3.224359 0.992345 0.089064
C 3.940578 -0.123242 -0.192310
C -4.660106 0.631570 0.263424
C 0.827651 2.213765 -0.487631
C -1.485270 2.739247 -0.427345
C 1.799134 1.133116 -0.316262
C -2.851367 2.274021 -0.219686
C 5.769876 1.395054 -0.718507
C -3.617459 -1.520537 0.652993
C 6.234833 -2.113013 -0.974760
C 7.235765 -0.887194 0.907997
C -6.562364 -2.362026 -0.135076
C -6.938053 -0.873138 1.784684
C 1.150618 3.564174 -0.821824
C -1.224147 4.101737 -0.758514
C 0.109668 4.507650 -0.955066
C 7.136271 -3.177049 -0.753641
C 8.135538 -1.953744 1.117924
C -7.848637 -2.913292 0.046868
C -8.225310 -1.427363 1.955919
C 8.088170 -3.098457 0.288653
C -8.681471 -2.448620 1.091237
H 1.350366 0.165846 -0.050140
H -3.666705 3.002055 -0.320141
H 5.491122 -2.167971 -1.775225
H 7.263524 0.001421 1.545634
H -5.911428 -2.715124 -0.940109
H -6.579213 -0.080058 2.447293
H 2.186275 3.877100 -0.973483
H -2.052809 4.809964 -0.856526
H 0.340467 5.546632 -1.209938
H 7.093104 -4.063849 -1.394411
H 8.869013 -1.891183 1.928514
H -8.198638 -3.702767 -0.626446
H -8.867971 -1.062034 2.763776
H 8.786875 -3.925196 0.455996
H -9.679548 -2.878530 1.228754


