%chk=000019459.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019459

0 1
 S   -2.157500       2.571000     -0.1962000    
 S    2.115500      -2.549800      9.1399997E-02
 O   -1.337400       2.742300       1.205700    
 O    1.282000      -2.628700      -1.310900    
 O   -1.190300       2.685600      -1.275200    
 O   -3.327300       3.431100     -0.1475000    
 O    3.251100      -3.448700     -3.3900000E-02
 O    1.173700      -2.684900       1.189200    
 O   -6.451700      -1.984700      0.1682000    
 O    6.496300       1.935000     -5.9700001E-02
 O   -6.776300      0.1838000      0.2747000    
 O    6.777100     -0.2303000     -0.2875000    
 N   -6.016800     -0.8077000      0.1537000    
 N    6.038300      0.7676000     -0.1061000    
 C   -1.882700     -0.1678000     -0.3146000    
 C    1.911800      0.1849000      0.3603000    
 C   -2.745400      0.9199000     -0.1789000    
 C    2.735800     -0.9118000      0.1588000    
 C  -0.4450000      6.3999998E-03 -0.4792000    
 C   0.4563000      2.8100001E-02  0.5288000    
 C   -4.115400      0.7081000     -2.3499999E-02
 C    4.108500     -0.7184000      3.8000001E-03
 C   -2.389600      -1.467000     -0.2951000    
 C    2.428500       1.471400      0.4102000    
 C   -4.622400     -0.5914000     -4.0000002E-03
 C    4.641200      0.5699000      5.2000001E-02
 C   -3.759400      -1.678800     -0.1397000    
 C    3.801000       1.664700      0.2552000    
 H  -0.1054000      9.9500000E-02  -1.508400    
 H   0.1221000     -6.6699997E-02   1.559700    
 H   -4.788600       1.553300      8.6199999E-02
 H    4.762200      -1.570800     -0.1574000    
 H   -1.731800      -2.326800     -0.4001000    
 H    1.788800       2.335800      0.5659000    
 H   -4.118800      -2.704700     -0.1293000    
 H    4.180600       2.682500      0.2980000    
 H  -0.4100000       2.413600       1.205600    
 H    1.810000      -2.463800      -2.127200    


%chk=000019459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019459

0 1
S -2.449959 2.925305 -0.136110
S 2.530589 -2.928385 0.105594
O -1.909397 3.072681 1.638590
O 1.996084 -3.078769 -1.668976
O -1.147245 3.169165 -1.065470
O -3.791929 3.788952 -0.380445
O 3.872697 -3.790422 0.354413
O 1.225580 -3.172194 1.032366
O -6.445325 -2.090447 -0.006453
O 6.522968 2.089885 -0.027069
O -6.949310 0.135464 -0.118135
O 7.027990 -0.135639 0.088194
N -6.114964 -0.844188 -0.044072
N 6.193180 0.843479 0.012081
C -1.888708 0.101073 0.088783
C 1.967570 -0.104181 -0.121912
C -2.902725 1.093596 -0.002534
C 2.982074 -1.095989 -0.029287
C -0.459415 0.431706 0.159638
C 0.538337 -0.435234 -0.193280
C -4.274991 0.834980 -0.046014
C 4.354153 -0.836620 0.014513
C -2.353485 -1.249473 0.146136
C 2.431661 1.246639 -0.180105
C -4.665998 -0.517569 -0.000224
C 4.744484 0.516119 -0.032190
C -3.721039 -1.562248 0.098899
C 3.799001 1.560210 -0.132601
H -0.206255 1.428322 0.535702
H 0.285522 -1.432060 -0.568981
H -5.017944 1.635594 -0.123630
H 5.097515 -1.636729 0.093448
H -1.622929 -2.053837 0.274687
H 1.700597 2.050393 -0.309643
H -4.073555 -2.595643 0.150416
H 4.151001 2.593744 -0.184835
H -1.773631 4.043483 1.844339
H 1.856802 -4.049468 -1.872832


