%chk=000030515.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030515

0 1
 O   0.5829000       1.268600      0.2997000    
 O    2.111200       2.292400      -1.084300    
 N    4.753300     -0.8460000     -3.4299999E-02
 C   -1.561700       2.125700       1.000900    
 C   -2.325000      0.9292000      0.5426000    
 C  -0.2961000       2.379400      0.1762000    
 C   -3.315500       1.063900     -0.4305000    
 C   -2.048200     -0.3249000       1.087000    
 C   -3.752400      -1.309300     -0.3143000    
 C   -4.029200     -5.5500001E-02 -0.8588000    
 C   -2.761900      -1.444100      0.6585000    
 C   -4.514900      -2.506100     -0.7731000    
 C    1.756600       1.356100     -0.3851000    
 C    2.580000      0.1385000     -0.1754000    
 C    1.968500      -1.069500      5.9500001E-02
 C    3.946000      0.2229000     -0.2169000    
 C    2.765800      -2.192300      0.2523000    
 C    4.140600      -2.028900      0.1960000    
 H   -1.286400       1.991700       2.055200    
 H   -2.203700       3.014700      0.9663000    
 H   0.2024000       3.281200      0.5503000    
 H  -0.5544000       2.526400     -0.8796000    
 H   -3.538800       2.035100     -0.8641000    
 H   -1.279100     -0.4446000       1.845500    
 H   -4.796800      6.1900001E-02  -1.619100    
 H   -2.535300      -2.416100       1.088500    
 H   -4.606200      -3.247400      2.8000001E-02
 H   -5.532100      -2.234600      -1.075300    
 H   -4.008000      -2.970700      -1.624700    
 H   0.8897000      -1.183200      8.6499996E-02
 H    4.466300       1.157600     -0.3966000    
 H    2.325000      -3.165200      0.4372000    
 H    4.806400      -2.873600      0.3385000    


%chk=000030515-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030515

0 1
O 0.586428 1.259013 0.359378
O 2.177413 2.427860 -0.883950
N 4.814172 -0.914943 -0.544514
C -1.576808 2.114419 1.084682
C -2.383645 0.922730 0.587061
C -0.336876 2.422719 0.232454
C -3.278369 1.055770 -0.504635
C -2.252959 -0.353102 1.188618
C -3.877604 -1.332213 -0.386161
C -4.011461 -0.051938 -0.983035
C -2.988933 -1.460530 0.711993
C -4.646145 -2.529591 -0.918915
C 1.823224 1.387979 -0.275607
C 2.645889 0.152275 -0.133291
C 2.147176 -1.036893 0.456726
C 3.980661 0.161265 -0.618871
C 2.998801 -2.158115 0.538140
C 4.315048 -2.052634 0.029270
H -1.252382 1.953058 2.129051
H -2.202676 3.028719 1.077858
H 0.190811 3.328470 0.582653
H -0.586095 2.552016 -0.836515
H -3.412329 2.036628 -0.979427
H -1.573724 -0.477192 2.041175
H -4.701649 0.078774 -1.825719
H -2.876161 -2.436569 1.200446
H -4.855910 -3.264638 -0.121844
H -5.609470 -2.226843 -1.366013
H -4.069849 -3.054132 -1.705980
H 1.118741 -1.066972 0.826841
H 4.383405 1.068474 -1.081787
H 2.655377 -3.097386 0.982247
H 5.004899 -2.903180 0.074272


