%chk=000001514.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001514

0 1
 S   0.1377000      0.6198000      0.6412000    
 S   -2.823800       1.042300      0.6604000    
 S   -5.579500      0.3952000     -8.8500001E-02
 O   0.4491000       1.770900     -0.1823000    
 O   0.1008000      0.6944000       2.087700    
 O    5.221100       1.421700      -1.117300    
 O   -5.633900       1.823000      0.2035000    
 O   -6.182400     -0.1365000      -1.304300    
 N    1.071300     -0.7291000      0.1523000    
 N   -6.245900     -0.4401000       1.256400    
 C   -1.477700      0.1574000      0.1585000    
 C   -1.783700     -0.9011000     -0.6509000    
 C   0.5732000      -1.638800     -0.8476000    
 C  -0.7320000      -1.716800      -1.166000    
 C    2.499500     -0.5993000      0.2649000    
 C   -3.181500      -1.004500     -0.8744000    
 C   -3.873000     -7.4000000E-03 -0.2113000    
 C    3.177400      0.3609000     -0.4891000    
 C    3.213000      -1.434100       1.127800    
 C    4.562500      0.4859000     -0.3806000    
 C    4.597800      -1.309100       1.236200    
 C    5.272700     -0.3491000      0.4821000    
 C    6.637200       1.494400     -0.9586000    
 H    1.296200      -2.309900      -1.299900    
 H   -1.014300      -2.469000      -1.900000    
 H   -3.663400      -1.759700      -1.482600    
 H    2.646500       1.002400      -1.186800    
 H    2.696900      -2.184800       1.720900    
 H    5.149800      -1.959600       1.908400    
 H    6.348300     -0.3062000      0.6150000    
 H   -6.312100      -1.462900       1.175700    
 H   -5.930200     -0.1389000       2.187300    
 H    6.913700       1.776600      6.3000001E-02
 H    6.995800       2.291400      -1.618300    
 H    7.126300      0.5688000      -1.280400    


%chk=000001514-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001514

0 1
S 0.064502 1.016126 1.079646
S -3.071788 0.655031 1.420714
S -5.815799 -0.199251 0.022111
O -0.077006 2.626153 0.761072
O 0.421273 0.597401 2.623726
O 5.668434 0.494102 -1.589307
O -6.461866 1.238519 0.401287
O -6.175215 -0.979325 -1.362110
N 1.162213 -0.596030 -0.095689
N -6.130269 -1.243944 1.493215
C -1.550521 0.232019 0.560235
C -1.749674 -0.401827 -0.685271
C 0.642108 -0.807091 -1.352433
C -0.722864 -0.802185 -1.619537
C 2.553541 -0.475407 0.131983
C -3.166659 -0.599368 -0.942984
C -3.963947 -0.102443 0.060029
C 3.472013 -0.020989 -0.853323
C 3.011731 -0.814039 1.441802
C 4.847373 0.051690 -0.546602
C 4.383921 -0.719728 1.732674
C 5.312011 -0.297624 0.751778
C 7.104989 0.632247 -1.322455
H 1.333211 -1.075032 -2.164966
H -1.046511 -1.110341 -2.618810
H -3.567928 -1.078863 -1.839611
H 3.140645 0.302153 -1.845201
H 2.281877 -1.136702 2.187642
H 4.743611 -0.976992 2.734033
H 6.374644 -0.236391 1.003942
H -6.159800 -2.241538 1.227594
H -6.993985 -0.905615 1.948257
H 7.294467 1.365393 -0.515207
H 7.534046 1.000143 -2.265382
H 7.560623 -0.342052 -1.060450


