%chk=000025058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025058

0 1
 S   -1.934800      -1.358100     -0.2117000    
 S    1.012900      -2.063900     -0.1262000    
 N   -4.190900      0.2497000     -0.2383000    
 N   0.1166000      0.3535000     -5.7500001E-02
 C   -2.721400      0.2944000     -0.1716000    
 C    2.170900     -0.7902000     -2.6000001E-02
 C    1.500100      0.4363000      3.9999999E-04
 C  -0.2461000     -0.9061000     -0.1260000    
 C   -4.764500     -0.4469000      0.9176000    
 C   -4.732100       1.610100     -0.3053000    
 C    3.571700     -0.8706000      2.5400000E-02
 C    2.260900       1.622900      8.1299998E-02
 C    4.300800      0.3186000      0.1051000    
 C    3.655900       1.550300      0.1328000    
 H   -2.344700      0.8463000      -1.040500    
 H   -2.395300      0.8201000      0.7344000    
 H   -4.449400      9.9999997E-05   1.867600    
 H   -4.502800      -1.509400      0.9269000    
 H   -5.859800     -0.4150000      0.8762000    
 H   -4.347600       2.133800      -1.187700    
 H   -4.480600       2.200500      0.5834000    
 H   -5.822800       1.586900     -0.4081000    
 H    4.082000      -1.828600      4.1999999E-03
 H    1.767300       2.590300      0.1035000    
 H    5.386100      0.2787000      0.1458000    
 H    4.239500       2.464700      0.1949000    


%chk=000025058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025058

0 1
S -2.149417 -0.582218 -1.840941
S 0.715428 -1.772989 -1.416022
N -3.819617 1.045868 0.014416
N -0.101206 0.566515 -0.337007
C -3.006148 1.206675 -1.106281
C 1.869635 -0.809685 -0.397967
C 1.236631 0.389405 0.071169
C -0.537479 -0.421508 -1.094472
C -3.160127 0.754453 1.302535
C -5.130593 0.399145 -0.172934
C 3.202641 -1.117191 -0.066988
C 1.965077 1.288533 0.885432
C 3.915365 -0.206925 0.748181
C 3.300696 0.983737 1.218456
H -3.547655 1.514774 -2.010477
H -2.082153 1.767028 -0.913350
H -3.820409 1.056312 2.134253
H -2.211097 1.309058 1.365224
H -2.927673 -0.327868 1.403398
H -5.611715 0.782769 -1.088764
H -5.783484 0.628682 0.686862
H -5.034524 -0.705383 -0.260598
H 3.682168 -2.032704 -0.426772
H 1.480718 2.203884 1.238926
H 4.954222 -0.426487 1.016952
H 3.872616 1.674520 1.847368


