%chk=000178629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178629

0 1
 S   -1.795500      -1.234200     -0.4500000    
 S    1.601200      -1.602500     -0.2927000    
 S   9.4899997E-02   1.119200       1.198200    
 P  -0.1075000     -0.9241000      0.7347000    
 O  -0.2681000      -1.713500       2.009500    
 O   -1.862500      -2.732400     -0.4262000    
 C   -3.112300     -0.6177000      0.6216000    
 C   -4.465800      -1.064900      0.1509000    
 C    2.988400      -1.330500      0.8271000    
 C   0.2802000       1.977700     -0.3767000    
 C    4.295700      -1.770700      0.2283000    
 C   0.4362000       3.462800     -0.1984000    
 C   -4.995100      -2.262600      0.6178000    
 C   -5.176800     -0.2770000     -0.7468000    
 C    5.050000     -0.8675000     -0.5092000    
 C    1.706100       4.005100     -4.9199998E-02
 C    4.732900      -3.074700      0.4206000    
 C  -0.6912000       4.273600     -0.1856000    
 C   -6.252800      -2.678200      0.1806000    
 C   -6.434700     -0.6927000      -1.183800    
 C   -6.972500      -1.893400     -0.7200000    
 C    6.262700      -1.275500      -1.064500    
 C    1.851000       5.382600      0.1159000    
 C    5.945700      -3.482700     -0.1346000    
 C  -0.5461000       5.651100     -2.0600000E-02
 C    6.710700      -2.583000     -0.8771000    
 C   0.7251000       6.205500      0.1301000    
 H   -3.052800      0.4756000      0.6451000    
 H   -2.931100     -0.9698000       1.642800    
 H    2.801300      -1.868700       1.763300    
 H    3.037000     -0.2677000       1.088800    
 H  -0.5913000       1.765100      -1.005800    
 H    1.148200       1.571900     -0.9079000    
 H   -4.443300      -2.882400       1.319200    
 H   -4.767100      0.6592000      -1.115500    
 H    4.710300      0.1532000     -0.6622000    
 H    2.590000       3.373300     -5.7999998E-02
 H    4.145000      -3.784000      0.9964000    
 H   -1.686000       3.852400     -0.3012000    
 H   -6.671500      -3.613200      0.5414000    
 H   -6.995100     -8.1799999E-02  -1.885400    
 H   -7.951800      -2.217100      -1.060500    
 H    6.858200     -0.5752000      -1.642900    
 H    2.840700       5.814300      0.2335000    
 H    6.294500      -4.500900      1.0900000E-02
 H   -1.422800       6.292100     -9.2000002E-03
 H    7.655000      -2.900800      -1.309500    
 H   0.8379000       7.278000      0.2588000    


%chk=000178629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178629

0 1
S -1.597431 -0.474281 -0.688612
S 2.111860 0.427214 -0.117727
S -0.284889 3.104344 1.067640
P 0.079346 0.798300 0.946954
O -0.005094 0.047439 2.368621
O -0.681999 -1.800705 -1.087554
C -2.630939 -1.086540 0.893759
C -3.607470 -2.140003 0.477751
C 2.760409 -0.941726 1.087024
C 0.622699 3.675446 -0.535895
C 3.245438 -2.144588 0.316377
C 0.743143 5.178574 -0.468473
C -3.180960 -3.484586 0.302859
C -4.968020 -1.809268 0.233340
C 4.622992 -2.483832 0.338063
C 1.830110 5.783022 0.217407
C 2.340988 -2.959288 -0.417259
C -0.229573 6.008747 -1.084790
C -4.100809 -4.476313 -0.100102
C -5.887188 -2.803339 -0.165401
C -5.455361 -4.140099 -0.333500
C 5.092574 -3.629643 -0.343967
C 1.947044 7.188190 0.276069
C 2.813564 -4.099253 -1.100869
C -0.113059 7.414952 -1.026256
C 4.187374 -4.441446 -1.064300
C 0.975672 8.008195 -0.345665
H -3.099415 -0.161812 1.268340
H -1.841121 -1.421755 1.585690
H 1.910836 -1.158542 1.760249
H 3.562516 -0.463438 1.670144
H 0.020267 3.344119 -1.395096
H 1.603433 3.172587 -0.538793
H -2.130603 -3.741851 0.475184
H -5.306649 -0.774141 0.365963
H 5.327652 -1.852992 0.894299
H 2.580145 5.148436 0.703926
H 1.281116 -2.682047 -0.477149
H -1.075376 5.550772 -1.611670
H -3.763051 -5.509991 -0.232477
H -6.935530 -2.538777 -0.342297
H -6.168185 -4.912667 -0.642596
H 6.158061 -3.884119 -0.315239
H 2.792381 7.643579 0.803452
H 2.110297 -4.719539 -1.667857
H -0.866991 8.045523 -1.510133
H 4.548155 -5.328641 -1.597119
H 1.066843 9.099082 -0.300315


