%chk=000095474.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095474

0 1
 O   -2.620800       1.955800      2.8800000E-02
 O   -3.861500     -0.5181000     -0.2280000    
 O    4.193100     -0.6556000       1.192800    
 O    4.759200      0.5432000     -0.5659000    
 N    3.947800     -7.8500003E-02  0.1282000    
 C   0.2356000     -0.2941000      0.4059000    
 C   -1.895100      0.8057000      0.1096000    
 C  -0.5182000      0.8766000      0.3220000    
 C   -2.517900     -0.4359000     -1.8800000E-02
 C  -0.3874000      -1.535500      0.2775000    
 C   -1.764100      -1.606400      6.5200001E-02
 C    1.671000     -0.2206000      0.6282000    
 C    2.600000     -0.1348000     -0.3437000    
 C    2.486400     -6.0199998E-02  -1.824000    
 C   -1.908200       3.183100      0.1707000    
 C   -4.420000      -1.824900     -0.3483000    
 H   1.8500000E-02   1.814000      0.4298000    
 H   0.1877000      -2.456300      0.3411000    
 H   -2.179600      -2.604200     -2.5200000E-02
 H    1.927600     -0.2339000       1.685800    
 H    3.091600     -0.8349000      -2.307800    
 H    2.797800      0.9197000      -2.201900    
 H    1.453300     -0.2146000      -2.152800    
 H   -1.179600       3.322700     -0.6352000    
 H   -1.455700       3.275100       1.164000    
 H   -2.640100       3.992500      7.9800002E-02
 H   -4.301600      -2.401100      0.5757000    
 H   -4.025600      -2.353400      -1.222900    
 H   -5.496000      -1.701800     -0.5103000    


%chk=000095474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095474

0 1
O -2.945556 1.859778 0.754308
O -3.916580 -0.436928 -0.117850
O 4.160824 1.597919 0.252345
O 5.207363 -0.213090 -0.645126
N 4.132095 0.416685 -0.283150
C 0.299320 0.123127 -0.149539
C -2.000659 0.930865 0.319539
C -0.610943 1.128974 0.315840
C -2.533033 -0.317597 -0.154022
C -0.250366 -1.105467 -0.612019
C -1.642615 -1.316956 -0.611564
C 1.718170 0.458107 -0.097965
C 2.820896 -0.260387 -0.497573
C 2.895533 -1.626607 -1.125746
C -2.446294 3.147567 1.247079
C -4.506539 -1.695932 -0.589021
H -0.196321 2.076219 0.675474
H 0.397183 -1.906761 -0.968537
H -2.035132 -2.272244 -0.971624
H 1.955499 1.444859 0.323274
H 2.499332 -2.401731 -0.443780
H 3.942249 -1.874429 -1.355737
H 2.312830 -1.662565 -2.064410
H -1.895358 3.693983 0.457086
H -1.794869 3.013933 2.132487
H -3.347170 3.710560 1.529684
H -4.164410 -2.551740 0.023769
H -4.266657 -1.875990 -1.654400
H -5.590591 -1.560549 -0.468522


