%chk=000081641.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081641

0 1
 S    5.257300       2.014800      0.1479000    
 S   -5.257200       2.014900     -0.1476000    
 S    5.772600     -0.9215000     -0.4830000    
 S   -5.772700     -0.9213000      0.4831000    
 O    5.722100       2.235200      -1.214300    
 O    5.697100       2.909500       1.208800    
 O   -5.722000       2.235300       1.214700    
 O   -5.697000       2.909800      -1.208400    
 O    5.457000     -0.4760000      -1.826800    
 O    7.013600      -1.622500     -0.2178000    
 O   -5.457000     -0.4760000       1.827000    
 O   -7.013600      -1.622300      0.2179000    
 N    5.619600      0.3998000      0.5904000    
 N   -5.619600      0.4000000     -0.5901000    
 C   0.7232000       2.015100      2.0000000E-02
 C  -0.7230000       2.014500     -2.0700000E-02
 C    3.511800       2.014800      9.8800004E-02
 C   -3.511700       2.014900     -9.8600000E-02
 C    1.387400       2.327300       1.206200    
 C   -1.452900       1.702300       1.126300    
 C    1.453200       1.702900      -1.126800    
 C   -1.387500       2.326900      -1.206600    
 C    2.781800       2.327200       1.245500    
 C   -2.847200       1.702400       1.087300    
 C    2.847500       1.702600      -1.087300    
 C   -2.781800       2.327200      -1.245500    
 C    4.437400      -1.960900      2.0500001E-02
 C   -4.437500      -1.960900     -2.0500001E-02
 C    3.195800      -1.804800     -0.5735000    
 C   -3.195900      -1.804900      0.5735000    
 C    4.653100      -2.914100       1.002000    
 C   -4.653400      -2.913900      -1.002100    
 C    2.140300      -2.625000     -0.1747000    
 C   -2.140400      -2.625000      0.1746000    
 C    3.597800      -3.734400       1.400800    
 C   -3.598000      -3.734200      -1.400800    
 C    2.341300      -3.589700      0.8123000    
 C   -2.341500      -3.589700     -0.8126000    
 H   0.8621000       2.605000       2.115900    
 H  -0.9796000       1.422100       2.063300    
 H   0.9801000       1.422800      -2.063900    
 H  -0.8624000       2.604800      -2.116300    
 H    3.279800       2.573100       2.179300    
 H   -3.392000       1.451300       1.992500    
 H    3.392500       1.451500      -1.992500    
 H   -3.280000       2.573300      -2.179000    
 H    6.056900      0.2830000       1.513700    
 H   -6.056900      0.2833000      -1.513500    
 H    3.019500      -1.078000      -1.357400    
 H   -3.019600      -1.078200       1.357400    
 H    5.622000      -3.036400       1.476400    
 H   -5.622200      -3.036100      -1.476600    
 H    1.164200      -2.515600     -0.6378000    
 H   -1.164300      -2.515800      0.6377000    
 H    3.753600      -4.484700       2.170400    
 H   -3.753900      -4.484500      -2.170500    
 H    1.519300      -4.228600       1.122000    
 H   -1.519600      -4.228600      -1.122300    


%chk=000081641-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081641

0 1
S 5.394344 2.424202 0.450100
S -5.394273 2.424385 -0.450032
S 5.967069 -0.775544 -0.156578
S -5.967148 -0.775377 0.156500
O 6.044811 2.701637 -1.006872
O 5.779746 3.334723 1.743900
O -6.044742 2.701790 1.006945
O -5.779633 3.334972 -1.743797
O 4.716771 -0.552754 -1.168124
O 7.495571 -0.941143 -0.681421
O -4.716873 -0.552679 1.168094
O -7.495672 -0.940951 0.681289
N 5.804166 0.653533 1.138834
N -5.804166 0.653759 -1.138847
C 0.742700 2.334903 0.064296
C -0.742631 2.334928 -0.064222
C 3.523527 2.343123 0.300176
C -3.523459 2.343239 -0.300103
C 1.362567 2.705922 1.290778
C -1.564884 1.970445 1.038590
C 1.564940 1.970402 -1.038520
C -1.362486 2.705981 -1.290700
C 2.766198 2.715197 1.421477
C -2.970432 1.966816 0.932939
C 2.970488 1.966727 -0.932868
C -2.766117 2.715305 -1.421398
C 5.581700 -2.217249 1.002860
C -5.581792 -2.217039 -1.002994
C 4.237657 -2.466295 1.323363
C -4.237749 -2.466108 -1.323479
C 6.663148 -2.990922 1.452797
C -6.663251 -2.990661 -1.452992
C 3.967271 -3.570228 2.164017
C -3.967375 -3.570009 -2.164178
C 6.367766 -4.090291 2.292616
C -6.367881 -4.089999 -2.292855
C 5.028048 -4.373549 2.647734
C -5.028164 -4.373278 -2.647956
H 0.748075 3.026524 2.138133
H -1.105686 1.652410 1.980092
H 1.105732 1.652390 -1.980024
H -0.747984 3.026573 -2.138051
H 3.258320 3.025937 2.348242
H -3.609933 1.674472 1.769945
H 3.609980 1.674369 -1.769877
H -3.258228 3.026072 -2.348160
H 6.768256 0.776378 1.545654
H -6.768254 0.776662 -1.545656
H 3.438469 -1.834202 0.924278
H -3.438552 -1.834055 -0.924347
H 7.686270 -2.756860 1.140930
H -7.686374 -2.756583 -1.141138
H 2.932867 -3.799867 2.439046
H -2.932971 -3.799663 -2.439195
H 7.181997 -4.721258 2.662890
H -7.182122 -4.720926 -2.663176
H 4.808584 -5.226291 3.298939
H -4.808708 -5.225996 -3.299195


