%chk=000277464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277464

0 1
S 6.185165 -0.356706 -0.295486
O 6.367809 -0.920644 1.025399
O 6.238287 -1.180930 -1.477410
O -8.964375 -0.630365 -0.120042
O -8.079047 1.344128 0.442433
N 7.405696 0.891854 -0.471309
N 8.541630 0.737089 0.402957
C -0.336254 0.451486 -0.157361
C 0.962664 -0.365032 -0.127178
C -1.568961 -0.455315 -0.040883
C 2.195500 0.541711 -0.242245
C -2.867972 0.360968 -0.071851
C 3.491987 -0.280982 -0.212810
C -4.100893 -0.545316 0.046736
C 4.725599 0.618100 -0.325809
C -5.394917 0.276011 0.015938
C -6.628039 -0.626789 0.129678
C -7.888075 0.180740 0.182953
H -0.389960 1.040547 -1.093432
H -0.335510 1.192296 0.665658
H 1.013812 -0.955717 0.808470
H 0.960193 -1.106017 -0.950556
H -1.515891 -1.044130 0.895443
H -1.569889 -1.196872 -0.863251
H 2.142142 1.131740 -1.177759
H 2.196836 1.280904 0.582241
H -2.865863 1.103730 0.749793
H -2.920847 0.949304 -1.008635
H 3.479997 -1.020082 -1.043401
H 3.533590 -0.871426 0.728098
H -4.045873 -1.132676 0.984092
H -4.102173 -1.287558 -0.775257
H 4.658908 1.232408 -1.248563
H 4.720843 1.368856 0.493590
H -5.449324 0.871013 -0.918059
H -5.399241 1.020723 0.839448
H -6.570036 -1.261766 1.042422
H -6.674029 -1.348035 -0.716539
H 7.800356 0.957410 -1.437180
H 8.828594 1.686559 0.679554
H 8.252713 0.271553 1.280348
H -9.831853 -0.147872 -0.086935


%chk=000277464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277464

0 1
S 6.598001 1.402256 -0.681347
O 6.689554 0.810282 1.013284
O 6.406709 0.040610 -1.642727
O -8.584691 -1.849552 0.420326
O -8.063918 0.387943 0.088993
N 6.251489 -2.280403 -0.268182
N 6.372258 -1.746864 0.890123
C -0.191145 0.970158 -0.276355
C 1.261454 0.446068 -0.222623
C -1.247728 -0.137496 -0.065497
C 2.313838 1.557076 -0.440866
C -2.699613 0.389169 -0.112429
C 3.764065 1.015343 -0.383954
C -3.757784 -0.717583 0.094168
C 4.793140 2.121722 -0.601294
C -5.204604 -0.178991 0.053855
C -6.246353 -1.294750 0.259136
C -7.675874 -0.790893 0.239403
H -0.367567 1.462270 -1.255664
H -0.326359 1.756543 0.495484
H 1.439723 -0.040854 0.758707
H 1.396901 -0.342146 -0.991929
H -1.069016 -0.633490 0.911601
H -1.116149 -0.921329 -0.840583
H 2.136563 2.039857 -1.424176
H 2.177977 2.346530 0.326868
H -2.831275 1.170864 0.664532
H -2.877370 0.888310 -1.087737
H 3.901713 0.238212 -1.161215
H 3.943519 0.539761 0.599945
H -3.575370 -1.219738 1.067633
H -3.628486 -1.496234 -0.686823
H 4.671205 2.639871 -1.569619
H 4.845303 2.850302 0.225285
H -5.391504 0.325141 -0.913738
H -5.339328 0.596476 0.832128
H -6.086021 -1.816831 1.223291
H -6.152515 -2.077387 -0.519416
H 6.283480 -1.453969 -0.986717
H 6.358360 -2.457740 1.656905
H 6.542959 -0.276451 1.040176
H -9.512244 -1.487165 0.404350


