%chk=000047411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047411

0 1
 O   0.8126000      9.9399999E-02 -0.5982000    
 O    1.130100      0.2303000       1.694200    
 O    4.715400      2.1600001E-02  -1.181100    
 N    2.986400      0.1282000      0.3043000    
 N    3.482800      3.9900001E-02  -1.095800    
 C   -1.251400      -1.054800     -0.1997000    
 C   -2.628200      -1.006700      1.9400001E-02
 C  -0.5326000      0.1266000     -0.3819000    
 C   -2.567300       1.404200     -0.1259000    
 C   -3.286400      0.2228000      5.6000002E-02
 C   -1.190400       1.356100     -0.3448000    
 C  -0.5410000      -2.370100     -0.2404000    
 C   -3.420500      -2.257400      0.2172000    
 C   -3.270300       2.718900     -8.6599998E-02
 C    1.615800      0.1583000      0.5659000    
 C    3.944800      0.1826000       1.397400    
 H   -4.360100      0.2652000      0.2233000    
 H  -0.6256000       2.274000     -0.4898000    
 H  -0.4130000      -2.759500      0.7748000    
 H   -1.094500      -3.101800     -0.8381000    
 H   0.4492000      -2.301800     -0.7019000    
 H   -3.469200      -2.831100     -0.7139000    
 H   -2.982600      -2.877400       1.006400    
 H   -4.450100      -2.039500      0.5223000    
 H   -4.122500       2.690000      0.6009000    
 H   -2.603800       3.514300      0.2637000    
 H   -3.633200       2.980700      -1.085400    
 H    4.578700       1.065700       1.273100    
 H    4.559500     -0.7225000       1.378800    
 H    3.444500      0.2454000       2.367400    


%chk=000047411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047411

0 1
O 0.844125 0.293003 -0.433833
O 1.295093 -0.266869 1.807897
O 4.628067 0.465965 -1.257146
N 3.039005 0.115404 0.283579
N 3.369403 0.412591 -1.074808
C -1.231995 -1.014665 -0.085826
C -2.653828 -0.990186 0.039853
C -0.589346 0.235761 -0.233158
C -2.674198 1.484780 -0.180042
C -3.342310 0.247965 -0.006406
C -1.264030 1.464762 -0.290905
C -0.438326 -2.305634 -0.047373
C -3.436409 -2.279394 0.224689
C -3.440635 2.793273 -0.257497
C 1.664239 0.021266 0.650188
C 4.095797 -0.095146 1.292187
H -4.434912 0.245929 0.092576
H -0.689390 2.387244 -0.423498
H -0.134705 -2.548997 0.989064
H -1.027328 -3.153736 -0.433130
H 0.480607 -2.228494 -0.654173
H -3.344917 -2.943324 -0.656618
H -3.076765 -2.853478 1.098836
H -4.509074 -2.071212 0.374694
H -4.479387 2.673365 0.095194
H -2.962188 3.579512 0.354059
H -3.483387 3.169772 -1.297652
H 4.724282 0.808342 1.368812
H 4.741304 -0.937040 0.989147
H 3.608309 -0.309160 2.252888


