%chk=000186019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186019

0 1
S 3.034347 -2.350281 -0.896503
S 1.291333 -2.740845 0.103704
O 2.478603 -0.335286 0.495659
O -1.094014 -2.239871 -0.409621
O 4.390993 -0.057201 -0.750556
O 0.316679 -0.993698 -1.716363
C 0.328482 2.578612 0.656905
C -4.113517 0.060256 -0.461318
C 1.418676 1.757393 -0.060473
C -2.652006 -0.374408 -0.217508
C 0.901740 3.890075 1.205980
C -0.834906 2.850579 -0.304449
C -5.097709 -0.890540 0.230705
C -4.324151 1.497027 0.031321
C 2.373163 1.075591 0.910128
C -2.315051 -1.647638 -0.978492
C 3.446916 -0.686291 -0.379635
C 0.102771 -1.808216 -0.866736
H -0.065909 1.977909 1.515575
H -4.312208 0.036439 -1.562665
H 0.939800 0.977868 -0.700685
H 1.975128 2.395807 -0.773290
H -1.955543 0.447146 -0.513961
H -2.473125 -0.527355 0.866077
H 0.143096 4.457092 1.756337
H 1.737933 3.710841 1.889218
H 1.270159 4.538346 0.402639
H -1.317750 1.908821 -0.618307
H -1.601218 3.476647 0.164042
H -0.501894 3.366322 -1.211854
H -6.135580 -0.595927 0.038548
H -4.982104 -1.922339 -0.116983
H -4.958968 -0.895748 1.317959
H -3.709005 2.211022 -0.526926
H -5.368654 1.807301 -0.088406
H -4.075399 1.604062 1.093009
H 3.379183 1.524083 0.933283
H 1.973462 0.963817 1.934041
H -3.035517 -2.468834 -0.800696
H -2.165834 -1.484277 -2.058902


%chk=000186019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186019

0 1
S 3.077856 -2.243157 -1.042776
S 1.308259 -3.268062 -0.062154
O 2.116213 -0.290521 0.566903
O -1.247121 -2.892974 -0.418472
O 3.979856 0.277171 -0.743286
O 0.029084 -1.374755 -1.677673
C 0.622807 3.286729 0.725122
C -4.090115 -0.225214 -0.494296
C 1.053776 1.916891 0.131799
C -2.829411 -0.997302 -0.013157
C 1.825759 4.240031 0.932100
C -0.441185 3.940939 -0.187644
C -5.379060 -1.076183 -0.382146
C -4.235708 1.089926 0.307671
C 1.978745 1.126358 1.064666
C -2.526229 -2.232902 -0.869278
C 3.107898 -0.520997 -0.346864
C -0.078677 -2.325689 -0.888116
H 0.154449 3.098723 1.715747
H -3.940240 0.040778 -1.562529
H 0.154193 1.301970 -0.065275
H 1.557657 2.076703 -0.840842
H -1.957542 -0.316577 -0.055485
H -2.962711 -1.303177 1.042863
H 1.486798 5.221097 1.312639
H 2.559604 3.838973 1.655136
H 2.354177 4.412183 -0.025125
H -1.325403 3.286575 -0.308832
H -0.784660 4.905068 0.230386
H -0.026058 4.137094 -1.194615
H -6.263859 -0.485011 -0.681535
H -5.349139 -1.973591 -1.027044
H -5.535564 -1.411381 0.661434
H -3.335269 1.725331 0.207066
H -5.105243 1.675129 -0.043763
H -4.383725 0.878182 1.384139
H 2.988882 1.564287 1.137140
H 1.541903 0.994615 2.068145
H -3.268911 -3.034723 -0.744150
H -2.419684 -1.968236 -1.937096


