%chk=000116776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116776

0 1
S -1.552513 0.803290 -0.023236
O -6.556050 0.641569 -0.017112
O -5.634744 -1.422969 0.062818
C 3.642822 0.386224 -0.017730
C 4.888686 -0.509655 0.002987
C 2.354118 -0.446515 0.003918
C 6.177389 0.323039 -0.018614
C 1.109034 0.454320 -0.017025
C 7.425102 -0.571259 0.002144
C -0.164691 -0.381567 0.004467
C 8.710738 0.252538 -0.019393
C -2.997125 -0.309303 0.003235
C -4.220421 0.591419 -0.008044
C -5.483641 -0.226129 0.018371
C -7.880356 0.045908 0.002627
H 3.659494 1.032502 -0.916772
H 3.661214 1.075711 0.848588
H 4.871774 -1.198669 -0.863443
H 4.873466 -1.155482 0.902104
H 2.337061 -1.134948 -0.863083
H 2.338714 -1.091566 0.903694
H 6.196599 1.012735 0.847041
H 6.194962 0.969514 -0.917038
H 1.133970 1.102065 -0.918112
H 1.135479 1.145256 0.851341
H 7.408697 -1.260455 -0.864774
H 7.410445 -1.217001 0.901927
H -0.221319 -1.011190 0.910808
H -0.222846 -1.054658 -0.869967
H 8.777205 0.920016 0.847291
H 9.595460 -0.393704 -0.004107
H 8.775696 0.876204 -0.918228
H -2.977550 -0.953776 0.903421
H -2.984534 -0.986058 -0.872925
H -4.219964 1.292709 0.860159
H -4.231085 1.255823 -0.904623
H -8.006742 -0.597012 -0.874038
H -8.011063 -0.527738 0.925497
H -8.536284 0.922112 -0.032676


%chk=000116776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116776

0 1
S -1.627990 1.144279 -0.052100
O -6.768831 0.494087 -0.032151
O -5.565077 -1.495379 0.112751
C 3.717158 0.443977 -0.015936
C 4.935808 -0.506190 -0.005848
C 2.362721 -0.300993 -0.007930
C 6.290588 0.237455 -0.009285
C 1.150409 0.660661 -0.026553
C 7.509938 -0.712622 -0.003222
C -0.189830 -0.093009 -0.009794
C 8.859537 0.037609 -0.004936
C -3.056822 -0.094878 0.011803
C -4.380563 0.681227 -0.023440
C -5.584650 -0.246286 0.028079
C -8.023887 -0.296156 0.011864
H 3.769930 1.098252 -0.911083
H 3.769785 1.117398 0.864876
H 4.884844 -1.177686 -0.888623
H 4.881601 -1.163411 0.887429
H 2.311878 -0.977550 -0.886383
H 2.307265 -0.949774 0.890988
H 6.344687 0.906881 0.874853
H 6.345788 0.896800 -0.900913
H 1.202073 1.301385 -0.929402
H 1.202769 1.338558 0.848544
H 7.455517 -1.380234 -0.887487
H 7.453257 -1.372006 0.887065
H -0.293251 -0.700096 0.907837
H -0.285812 -0.753760 -0.890394
H 8.952141 0.688426 0.885111
H 9.714055 -0.663980 -0.000761
H 8.954354 0.680485 -0.900506
H -2.971550 -0.688139 0.937284
H -2.975488 -0.775142 -0.852240
H -4.447311 1.387396 0.826241
H -4.453394 1.299291 -0.938421
H -8.065953 -0.994106 -0.841162
H -8.081181 -0.870607 0.951702
H -8.827314 0.451135 -0.046357


