%chk=000081282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081282

0 1
 S   0.9233000       3.619500      0.1530000    
 S    1.947000      -3.137100     -0.1202000    
 O    1.516000       3.986200      -1.322700    
 O    1.323300      -3.390300      -1.607000    
 O   -2.261700      -2.304800       1.124700    
 O  -0.3500000       4.304300      0.2888000    
 O    1.981100       3.801400       1.129800    
 O    3.222800      -3.828200     -6.4199999E-02
 O   0.9099000      -3.395300      0.8618000    
 N   -2.438700     -0.2064000      3.9799999E-02
 N   -3.432500      0.5748000     -0.4954000    
 C    1.258900     -0.4437000     -9.1000004E-03
 C    1.609800      0.9265000      4.0700000E-02
 C   -1.094700      0.1693000      3.9900001E-02
 C   0.5933000       1.894300      8.9400001E-02
 C  -9.8099999E-02 -0.8057000     -8.8000000E-03
 C    2.275400      -1.411600     -5.7900000E-02
 C  -0.7497000       1.516700      8.8900000E-02
 C    2.966700       1.288400      4.0300000E-02
 C   -4.376000      -1.384100      0.3612000    
 C   -2.891500      -1.411200      0.5846000    
 C    3.618500      -1.033900     -5.7599999E-02
 C   -4.542400     -6.9899999E-02 -0.3259000    
 C    3.963500      0.3134000     -8.5000005E-03
 C   -5.874200      0.4274000     -0.7657000    
 H  -0.3985000      -1.832100     -0.1625000    
 H   -1.540800       2.259800      0.1315000    
 H    3.318200       2.312300      2.6600000E-02
 H   -4.912600      -1.393500       1.311500    
 H   -4.686000      -2.202600     -0.2908000    
 H    4.426400      -1.757700     -0.1003000    
 H    5.009400      0.6067000     -2.0199999E-02
 H   -6.533200      0.5137000      0.1021000    
 H   -6.308200     -0.2801000      -1.476800    
 H   -5.777600       1.405600      -1.243700    
 H   0.9022000       3.825500      -2.077600    
 H    1.920800      -3.170600      -2.360000    


%chk=000081282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081282

0 1
S 0.721035 3.715322 -0.095227
S 2.235019 -3.201389 0.204449
O 1.337389 3.776554 -1.846675
O 1.421827 -3.440869 -1.447735
O -2.275561 -2.787255 -0.333240
O -0.732387 4.414804 -0.006603
O 1.915755 4.241172 0.863687
O 3.692503 -3.896445 0.205302
O 1.147866 -3.616325 1.333137
N -2.422606 -0.409846 -0.093197
N -3.456520 0.590099 -0.032017
C 1.335232 -0.454430 0.024662
C 1.650051 0.970505 -0.018270
C -1.072634 0.015927 -0.048688
C 0.512927 1.837115 -0.058102
C -0.018623 -0.905842 0.010490
C 2.465504 -1.332811 0.067031
C -0.805583 1.422872 -0.077155
C 3.014117 1.406368 -0.023463
C -4.462712 -1.539123 -0.236019
C -2.940056 -1.727052 -0.231663
C 3.789334 -0.916707 0.051452
C -4.616206 -0.038498 -0.108402
C 4.059837 0.483032 0.004590
C -5.911915 0.710860 -0.068505
H -0.244992 -1.972201 0.040760
H -1.633334 2.136841 -0.109352
H 3.234763 2.476694 -0.037828
H -4.924202 -2.093997 0.601243
H -4.901652 -1.941495 -1.166937
H 4.598494 -1.653787 0.079069
H 5.097615 0.828237 -0.003935
H -6.535630 0.377872 0.782382
H -6.500016 0.533267 -0.988593
H -5.726963 1.792177 0.030290
H 1.538036 4.733930 -2.062596
H 0.834387 -4.248578 -1.364644


