%chk=000127747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127747

0 1
 O   -4.041300      -1.031600      0.7122000    
 O   -4.274800       1.789800      0.2207000    
 N   -1.979700       1.560400     -0.3190000    
 C   0.9169000     -0.7432000     -0.6043000    
 C   -1.100100      0.4752000     -0.3299000    
 C   -1.743200     -0.6946000      6.3199997E-02
 C    2.365200     -0.7988000     -0.9638000    
 C   0.2364000      0.4774000     -0.6704000    
 C   0.2563000      -1.924100     -0.2048000    
 C   -1.098200      -1.909600      0.1371000    
 C   -3.130200     -0.3307000      0.3446000    
 C    3.272600     -0.5604000      0.2175000    
 C   -3.244900       1.168100      7.9499997E-02
 C    4.165100      0.4330000      0.3919000    
 C    5.040600      0.6107000       1.599800    
 C    4.359200       1.478300     -0.6743000    
 H    2.599600      -1.795200      -1.363000    
 H    2.561300     -0.1266000      -1.804300    
 H   0.7367000       1.390100     -0.9760000    
 H   0.7998000      -2.865100     -0.1571000    
 H   -1.608600      -2.814200      0.4448000    
 H   -1.709500       2.503300     -0.5723000    
 H    3.185500      -1.297000       1.016000    
 H    4.884300     -0.1893000       2.331100    
 H    6.096400      0.5978000       1.310700    
 H    4.822900       1.562700       2.094300    
 H    3.481800       1.640200      -1.303700    
 H    4.572400       2.449900     -0.2136000    
 H    5.210400       1.214800      -1.310200    


%chk=000127747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127747

0 1
O -4.360833 -0.964520 -0.176593
O -4.157696 1.957991 0.722187
N -1.843117 1.485364 0.466080
C 0.917449 -0.954809 -0.422932
C -1.049416 0.372429 0.083721
C -1.892919 -0.737738 -0.221344
C 2.433374 -1.080211 -0.580949
C 0.345854 0.282064 -0.008683
C 0.076887 -2.064675 -0.722425
C -1.328010 -1.963140 -0.625388
C -3.293724 -0.322797 -0.026525
C 3.235777 -0.337808 0.471615
C -3.216309 1.185497 0.437746
C 4.180904 0.627778 0.276587
C 4.919007 1.237028 1.458566
C 4.600991 1.173233 -1.077334
H 2.698335 -2.156523 -0.555993
H 2.708431 -0.727435 -1.594396
H 1.002440 1.124719 0.233774
H 0.536093 -3.010673 -1.030521
H -1.978343 -2.813993 -0.853833
H -1.478849 2.399456 0.735035
H 3.023383 -0.645051 1.506978
H 4.582882 0.810492 2.419264
H 6.010858 1.068603 1.372066
H 4.772416 2.334810 1.496576
H 4.002675 0.779812 -1.915270
H 4.520673 2.277949 -1.091714
H 5.663687 0.933447 -1.279594


