%chk=000073005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073005

0 1
 O    4.164800       2.533800     -0.6323000    
 O    2.510200       1.952700      -2.071200    
 O   0.9477000       2.047100       1.549500    
 N    1.396800      0.4627000     -6.4400002E-02
 N   -1.196700     -8.7300003E-02 -0.2344000    
 N   -3.118100       1.224700       1.284200    
 C    3.542900     -0.6514000     -0.4326000    
 C    2.828400      0.6430000     -4.5000002E-02
 C    3.285900      -1.788600      0.5603000    
 C    4.039200      -3.056900      0.1579000    
 C    3.116500       1.764300      -1.024000    
 C    3.757800      -4.200700       1.119200    
 C   0.5461000       1.197300      0.7552000    
 C  -0.8828000      0.8730000      0.6405000    
 C   -2.498400     -0.4014000     -0.3555000    
 C   -3.471400      0.2630000      0.4136000    
 C   -1.810900       1.524100       1.390600    
 C   -2.900700      -1.392500      -1.247800    
 C   -4.810800     -8.8500001E-02  0.2619000    
 C   -4.243600      -1.736500      -1.391900    
 C   -5.202700      -1.081700     -0.6338000    
 H    3.228200     -0.9665000      -1.436400    
 H    4.621800     -0.4602000     -0.4952000    
 H    3.129200      0.9663000      0.9585000    
 H    3.599700      -1.477700       1.564200    
 H    2.212900      -2.008500      0.6105000    
 H    3.745600      -3.359500     -0.8540000    
 H    5.117200      -2.859200      0.1378000    
 H   0.9972000     -0.1914000     -0.7322000    
 H    4.067000      -3.942500       2.137000    
 H    4.307600      -5.096500      0.8139000    
 H    2.691100      -4.446200       1.135600    
 H   -1.570000       2.303600       2.102400    
 H    4.357000       3.246200      -1.278800    
 H   -2.158500      -1.914300      -1.848800    
 H   -5.573800      0.4172000      0.8504000    
 H   -4.535700      -2.512100      -2.093200    
 H   -6.252200      -1.340200     -0.7365000    


%chk=000073005-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073005

0 1
O 4.283742 2.276872 -1.207823
O 2.279571 1.935037 -2.333549
O 1.052684 0.553682 2.115487
N 1.298115 0.427793 -0.213303
N -1.356718 0.001981 -0.529750
N -3.103441 -0.178053 1.752918
C 3.625592 -0.555326 -0.379937
C 2.730969 0.718981 -0.221805
C 3.420369 -1.571425 0.763117
C 4.364332 -2.789650 0.640348
C 3.023760 1.694460 -1.357728
C 4.149114 -3.820153 1.769653
C 0.566072 0.391530 0.950052
C -0.908024 0.136572 0.736410
C -2.714075 -0.226067 -0.696067
C -3.593467 -0.319127 0.455942
C -1.782520 0.047884 1.875782
C -3.253677 -0.370840 -2.011307
C -4.986818 -0.558754 0.256862
C -4.621587 -0.603065 -2.176406
C -5.490167 -0.698222 -1.039840
H 3.406537 -1.033926 -1.355967
H 4.680865 -0.222358 -0.405068
H 2.979891 1.194367 0.745565
H 3.580171 -1.069580 1.737781
H 2.369608 -1.921664 0.764969
H 4.208357 -3.279355 -0.342995
H 5.417484 -2.441536 0.651576
H 0.781628 0.355630 -1.099592
H 4.326569 -3.363301 2.761168
H 4.833087 -4.682374 1.665808
H 3.112623 -4.206478 1.760897
H -1.365075 0.166630 2.879497
H 4.466239 2.880766 -1.978094
H -2.571145 -0.292210 -2.863128
H -5.627676 -0.625312 1.141271
H -5.039637 -0.713610 -3.182646
H -6.558853 -0.881098 -1.194898


