%chk=000080120.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080120

0 1
 S   -2.591100      -3.072200       2.944900    
 S    2.591100       3.072100       2.945000    
 O  -0.2517000       1.871300      -1.010500    
 O   0.2518000      -1.871300      -1.010400    
 O   -5.214900     -8.3499998E-02 -0.7177000    
 O    5.214900      8.3600000E-02 -0.7177000    
 O   -2.851500      -4.390800       2.017300    
 O    2.851600       4.390700       2.017400    
 O   -1.368200      -3.309600       3.693800    
 O   -3.831200      -2.741300       3.625000    
 O    1.368200       3.309500       3.693800    
 O    3.831300       2.741300       3.625000    
 N   -4.582900      -1.803700       1.109600    
 N    4.582900       1.803700       1.109600    
 C  -0.6891000     -0.2292000      0.8460000    
 C   0.6891000      0.2292000      0.8460000    
 C   -1.695400      0.2977000      2.7700000E-02
 C    1.695400     -0.2977000      2.7600000E-02
 C   -2.992900     -0.2132000      0.1028000    
 C    2.992900      0.2132000      0.1027000    
 C  -0.9835000      -1.263700       1.734600    
 C   0.9834000       1.263700       1.734600    
 C   -3.284000      -1.251200      0.9959000    
 C    3.284000       1.251200      0.9960000    
 C   -2.278100      -1.773800       1.809300    
 C    2.278100       1.773700       1.809300    
 C   -1.374200       1.392200     -0.9111000    
 C    1.374200      -1.392100     -0.9111000    
 C   -4.064300      0.3337000     -0.7547000    
 C    4.064200     -0.3336000     -0.7548000    
 C   -2.445600       1.938900      -1.768600    
 C    2.445500      -1.938800      -1.768600    
 C   -3.743200       1.428300      -1.693200    
 C    3.743100      -1.428300      -1.693300    
 C   -2.154200       2.976400      -2.662400    
 C    2.154300      -2.976400      -2.662500    
 C   -4.749600       1.955300      -2.511400    
 C    4.749500      -1.955200      -2.511500    
 C   -3.160000       3.498400      -3.476300    
 C    3.160000      -3.498200      -3.476500    
 C   -4.454900       2.989000      -3.400800    
 C    4.454900      -2.989000      -3.400900    
 H  -0.1912000      -1.666200       2.361700    
 H   0.1912000       1.666200       2.361700    
 H   -1.153700       3.392800      -2.742400    
 H    1.153800      -3.392900      -2.742500    
 H   -5.767700       1.577500      -2.473900    
 H    5.767600      -1.577400      -2.473900    
 H   -4.773800      -2.572700       1.735500    
 H   -5.338900      -1.453700      0.5384000    
 H    5.339000       1.453600      0.5386000    
 H    4.773900       2.572500       1.735700    
 H   -2.933400       4.303100      -4.169700    
 H    2.933400      -4.302900      -4.169900    
 H   -5.236100       3.397400      -4.035500    
 H    5.236100      -3.397300      -4.035600    
 H   -2.092800      -4.666100       1.450700    
 H    2.092900       4.666100       1.450800    


%chk=000080120-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080120

0 1
S -2.450559 -3.307159 2.734449
S 2.450388 3.306824 2.734870
O -0.303204 1.814696 -1.295703
O 0.303282 -1.814877 -1.295685
O -5.477845 0.106927 -0.503141
O 5.477751 -0.106798 -0.502544
O -2.334886 -4.585382 1.396027
O 2.334999 4.585242 1.396611
O -1.168724 -3.442885 3.706286
O -3.951791 -3.389667 3.361150
O 1.168490 3.442577 3.706619
O 3.951581 3.388960 3.361718
N -4.685641 -1.707628 1.174441
N 4.685412 1.707699 1.174617
C -0.702852 -0.263829 0.595429
C 0.702696 0.263671 0.595502
C -1.790600 0.328318 -0.101712
C 1.790512 -0.328450 -0.101559
C -3.136262 -0.139841 0.072799
C 3.136144 0.139708 0.073109
C -0.973305 -1.359755 1.454398
C 0.973076 1.359571 1.454537
C -3.419133 -1.256687 0.962755
C 3.418935 1.256567 0.963041
C -2.273133 -1.824021 1.615467
C 2.272898 1.823848 1.615700
C -1.499094 1.441160 -1.068878
C 1.499132 -1.441217 -1.068850
C -4.257509 0.499847 -0.645431
C 4.257509 -0.500013 -0.644851
C -2.639167 2.089449 -1.769841
C 2.639303 -2.089415 -1.769756
C -3.970392 1.638029 -1.560058
C 3.970500 -1.637981 -1.559792
C -2.389593 3.167757 -2.655107
C 2.389844 -3.167609 -2.655194
C -5.042104 2.270626 -2.237302
C 5.042290 -2.270436 -2.237046
C -3.459104 3.793889 -3.323866
C 3.459433 -3.793595 -3.323966
C -4.788448 3.344232 -3.113486
C 4.788743 -3.343917 -3.113414
H -0.158135 -1.842344 2.004309
H 0.157866 1.842115 2.004428
H -1.354582 3.492604 -2.798298
H 1.354856 -3.492467 -2.798527
H -6.056415 1.901432 -2.059961
H 6.056577 -1.901249 -2.059548
H -4.863302 -2.429691 1.883275
H -5.432041 -1.223607 0.646779
H 5.431853 1.224107 0.646614
H 4.862930 2.430365 1.882881
H -3.265728 4.628058 -4.006298
H 3.266144 -4.627663 -4.006545
H -5.618931 3.832520 -3.634201
H 5.619287 -3.832100 -3.634129
H -2.425813 -5.485220 1.827881
H 2.426063 5.485004 1.828593


