%chk=000065648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065648

0 1
 O    2.649200       1.014300      0.8320000    
 O    3.903000       1.522400      -1.625800    
 O   -3.800600     -0.1250000      -1.264500    
 N   8.2800001E-02  -1.476100      0.6141000    
 N  -0.4723000      0.8820000      0.8313000    
 N   -1.733800      -2.101400     -0.5463000    
 N   -2.550900       1.508300     -0.1957000    
 N   -1.191200       3.076800      0.9208000    
 C    1.345900      -1.578100       1.301800    
 C    2.563500      -1.352700      0.3971000    
 C    2.633600      4.8900001E-02 -0.2190000    
 C  -0.6823000     -0.3750000      0.4318000    
 C   -1.783500     -0.7633000     -0.2738000    
 C  -0.5987000      -2.503300      3.9999999E-04
 C    3.897500      0.2170000      -1.057600    
 C   -2.804300      0.2015000     -0.6308000    
 C   -1.458000       1.803800      0.4842000    
 H    1.336600     -0.8719000       2.139400    
 H    1.397200      -2.582900       1.738100    
 H    2.568500      -2.102100     -0.4041000    
 H    3.459700      -1.523300       1.007300    
 H    1.759400      0.2504000     -0.8460000    
 H  -0.2186000      -3.515900     -1.5900001E-02
 H    3.929100     -0.5106000      -1.874100    
 H    4.804000      0.1109000     -0.4525000    
 H   0.3442000       1.174900       1.357700    
 H    2.531500       1.890600      0.4280000    
 H    4.050800       2.156500     -0.9040000    
 H  -0.3477000       3.291800       1.441100    
 H   -1.831200       3.840800      0.7331000    


%chk=000065648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065648

0 1
O 2.369743 1.045773 0.849890
O 3.869029 1.819811 -1.132438
O -3.996463 -0.014107 -1.200593
N 0.052130 -1.567428 0.593564
N -0.417256 0.876271 0.767957
N -1.880204 -2.207099 -0.464897
N -2.584736 1.526551 -0.116098
N -1.160097 3.118767 0.848840
C 1.343400 -1.656941 1.294837
C 2.579777 -1.364415 0.409685
C 2.584728 0.035360 -0.220624
C -0.715315 -0.424762 0.397911
C -1.902169 -0.812750 -0.247046
C -0.714338 -2.626245 0.041542
C 3.916449 0.360437 -0.917153
C -2.920545 0.204392 -0.581008
C -1.435699 1.810096 0.478552
H 1.329034 -0.954597 2.147414
H 1.429309 -2.676853 1.708808
H 2.644767 -2.117205 -0.399581
H 3.476665 -1.477092 1.049880
H 1.761389 0.136038 -0.957017
H -0.359474 -3.654867 0.057288
H 3.990331 -0.188721 -1.875593
H 4.771727 0.093654 -0.262654
H 0.568241 1.145153 0.983267
H 2.801473 1.879428 0.504218
H 4.695167 2.148020 -1.561988
H -0.428715 3.352499 1.515524
H -1.884947 3.800134 0.635611