%chk=000029528.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029528

0 1
 O   0.9931000      -1.673100     -0.4258000    
 O   -5.104500      -1.299000      0.4061000    
 O   -4.932600      0.9280000      -1.162100    
 N   0.4824000      0.4730000      0.3081000    
 C  -0.8838000      0.3387000      0.3332000    
 C    2.781900     -0.2069000     -5.7900000E-02
 C    1.335500     -0.5476000     -7.1800001E-02
 C   -1.406400     -0.8665000      0.6014000    
 C   -1.629900       1.549100      8.2900003E-02
 C    3.633200     -0.8842000     -0.9058000    
 C    3.226200      0.7757000      0.8020000    
 C   -2.790100      -1.246000      0.7127000    
 C   -2.907700       1.691400     -0.2811000    
 C   -3.888300     -0.6467000      0.2404000    
 C    4.990900     -0.5645000     -0.8930000    
 C    4.583900       1.095400      0.8145000    
 C   -3.949900      0.6580000     -0.4710000    
 C    5.466100      0.4253000     -3.3000000E-02
 H   0.8453000       1.421800      0.3465000    
 H  -0.7745000      -1.704300      0.8853000    
 H   -1.054100       2.472400      0.1542000    
 H    3.278600      -1.653400      -1.585200    
 H    2.576800       1.296600       1.498200    
 H   -2.912300      -2.205700       1.216700    
 H   -3.253700       2.701700     -0.4957000    
 H    5.677900      -1.085400      -1.553500    
 H    4.955900       1.861000       1.489300    
 H    6.523400      0.6733000     -2.2000000E-02
 H   -4.956600      -2.138200      0.8744000    


%chk=000029528-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029528

0 1
O 1.201217 -1.952527 0.009144
O -5.337261 -1.155955 0.383615
O -5.324969 1.483910 0.234953
N 0.490917 0.289234 0.027959
C -0.928024 0.168851 0.092675
C 2.892857 -0.211260 0.015276
C 1.471844 -0.710763 0.024100
C -1.545058 -1.086011 0.185619
C -1.616021 1.438653 0.053198
C 3.887968 -1.102025 -0.464238
C 3.281576 1.070387 0.490797
C -2.935591 -1.380962 0.270334
C -2.965743 1.733653 0.100369
C -4.076530 -0.572381 0.287058
C 5.241527 -0.710453 -0.496128
C 4.638389 1.459483 0.462274
C -4.181096 0.912472 0.209096
C 5.620682 0.573756 -0.037925
H 0.838457 1.246289 -0.063523
H -0.870326 -1.946784 0.189121
H -0.959419 2.319971 -0.028096
H 3.574051 -2.095801 -0.799223
H 2.549039 1.758186 0.932420
H -3.140607 -2.462848 0.335673
H -3.231236 2.798831 0.051693
H 6.000425 -1.403435 -0.874715
H 4.930068 2.444743 0.841448
H 6.672883 0.877632 -0.059498
H -5.273319 -2.144949 0.434525


