%chk=000025057.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025057

0 1
 S   0.3923000      -1.746600      0.8932000    
 S  -0.6348000      -1.890100     -0.8736000    
 N    1.504700     -0.5938000      0.4111000    
 N   -1.781700     -0.7076000     -0.5817000    
 C    3.843200       1.077200     -0.2364000    
 C   -3.495600       1.483900      0.3882000    
 C    3.074800      0.3120000      -1.303800    
 C    2.932300       1.382300      0.9434000    
 C   -3.893900      2.2000000E-02  0.5285000    
 C   -2.553400       1.655800     -0.7941000    
 C    2.390300     -0.9243000     -0.7202000    
 C    2.251500      0.1164000       1.464700    
 C   -2.666600     -0.8880000      0.5832000    
 C   -1.363100      0.7007000     -0.7027000    
 H    4.698200      0.4796000      0.1025000    
 H    4.244000       2.007300     -0.6541000    
 H   -4.386800       2.106600      0.2541000    
 H   -3.000200       1.821100       1.306800    
 H    2.320900      0.9687000      -1.756300    
 H    3.759900      1.1900000E-02  -2.104900    
 H    3.512700       1.848000       1.748000    
 H    2.168500       2.109000      0.6382000    
 H   -4.494800     -0.1119000       1.435300    
 H   -4.527200     -0.2681000     -0.3195000    
 H   -3.099600       1.471700      -1.728000    
 H   -2.194800       2.690700     -0.8332000    
 H    1.871700      -1.405300      -1.554600    
 H    3.155000      -1.640700     -0.3891000    
 H    2.998700     -0.5510000       1.914500    
 H    1.568600      0.4182000       2.269500    
 H   -2.138800     -0.6903000       1.524500    
 H   -3.027500      -1.924000      0.6271000    
 H  -0.7573000      0.8380000      -1.607800    
 H  -0.7412000       1.001600      0.1494000    


%chk=000025057-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025057

0 1
S 0.820685 -2.040452 0.532089
S -0.577983 -1.172333 -1.352134
N 2.325066 -1.171459 0.727455
N -1.857848 -0.157473 -0.686770
C 3.619007 1.098549 -0.628091
C -3.833295 1.452185 0.746382
C 3.517924 -0.289883 -1.304238
C 2.436470 1.315501 0.346719
C -4.156917 0.025614 0.246425
C -2.756500 2.098863 -0.154697
C 3.433070 -1.404423 -0.231363
C 2.354234 0.159729 1.379049
C -2.874986 -0.831375 0.160095
C -1.496569 1.207973 -0.240384
H 4.576213 1.166214 -0.068907
H 3.636861 1.899165 -1.391339
H -4.747827 2.074258 0.761390
H -3.459236 1.401221 1.790250
H 2.612723 -0.333186 -1.941001
H 4.395003 -0.474893 -1.953945
H 2.543464 2.277181 0.885390
H 1.490938 1.356149 -0.226032
H -4.878171 -0.475086 0.920314
H -4.618776 0.079468 -0.758214
H -3.162730 2.238874 -1.175010
H -2.465766 3.095612 0.229356
H 3.287751 -2.396533 -0.688663
H 4.378617 -1.427213 0.351796
H 3.249306 0.190080 2.036654
H 1.459127 0.250865 2.016669
H -2.464049 -1.000525 1.183357
H -3.085366 -1.817753 -0.286095
H -0.772242 1.620650 -0.963292
H -0.998199 1.165436 0.758986


