%chk=000031658.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031658

0 1
 O    2.873100      0.4945000      0.4098000    
 O   -3.231100      -1.745900      0.1720000    
 O   -5.007700     -0.8759000      -1.669800    
 N   -4.320700      2.0800000E-02 -0.8407000    
 C   0.7382000       1.300700     -0.3228000    
 C   -1.262900      0.5084000      0.7749000    
 C    1.515300      0.5066000      0.5204000    
 C  -0.6509000       1.301700     -0.1956000    
 C   -2.748000      0.5081000      0.9103000    
 C  -0.4858000     -0.2858000       1.618000    
 C    3.488200     -0.7580000      0.1151000    
 C   0.9033000     -0.2868000       1.490700    
 C    4.775400     -0.5046000     -0.6545000    
 C    1.376500       2.156700      -1.366200    
 C    5.480600      -1.799100      -1.017500    
 C   -3.443600     -0.5415000      5.6000002E-02
 H   -1.260500       1.917900     -0.8523000    
 H   -3.137500       1.509500      0.6869000    
 H   -3.034800      0.3176000       1.952700    
 H    2.818600      -1.387600     -0.4853000    
 H    3.705700      -1.275100       1.056600    
 H  -0.9503000     -0.9085000       2.378100    
 H    1.495400     -0.9045000       2.160400    
 H    4.553300      6.5300003E-02  -1.564800    
 H    5.442400      0.1290000     -5.7700001E-02
 H    2.056500       2.878600     -0.9021000    
 H    1.938600       1.537800      -2.073400    
 H   0.6363000       2.723900      -1.940500    
 H    4.845400      -2.428400      -1.648900    
 H    6.402700      -1.587400      -1.567900    
 H    5.743800      -2.367400     -0.1197000    
 H   -4.608200      0.9919000     -0.8784000    
 H   -4.437200     -0.8539000      -2.456700    


%chk=000031658-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031658

0 1
O 2.762673 0.327859 -0.491179
O -3.713508 -1.566640 0.788384
O -5.258284 -1.129684 -1.321488
N -4.488186 -0.063004 -0.736306
C 0.719357 1.566564 -0.456605
C -1.345172 0.605123 0.524915
C 1.403741 0.358886 -0.131051
C -0.648626 1.659913 -0.118917
C -2.823316 0.760446 0.886512
C -0.640264 -0.580836 0.834722
C 3.532600 -0.891791 -0.185131
C 0.727425 -0.707600 0.509002
C 4.960085 -0.662897 -0.688117
C 1.457732 2.697237 -1.142594
C 5.863960 -1.884186 -0.410697
C -3.685578 -0.367862 0.332750
H -1.180974 2.588537 -0.364320
H -3.197216 1.739578 0.532992
H -2.956852 0.739753 1.984774
H 3.067828 -1.763489 -0.692308
H 3.522766 -1.074066 0.910278
H -1.166502 -1.411035 1.318436
H 1.249964 -1.635635 0.758126
H 4.926118 -0.449350 -1.772754
H 5.371427 0.238101 -0.195917
H 2.321357 3.032557 -0.539348
H 1.869710 2.371181 -2.115478
H 0.791944 3.560426 -1.314233
H 5.482296 -2.791702 -0.915240
H 6.889510 -1.702813 -0.777626
H 5.928097 -2.100712 0.672334
H -4.531601 0.790576 -1.289462
H -5.002412 -1.894834 -0.707356


