%chk=000005012.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005012

0 1
 O    5.627000     -0.9764000      0.1837000    
 O    5.337100       1.168000     -0.1855000    
 N   -2.855000      0.1009000     -4.6300001E-02
 N   -5.636700     -0.4952000      0.1893000    
 N  -0.6543000     -0.7551000      0.1128000    
 N    4.878800      1.6000001E-02  9.4999997E-03
 C   -3.367900      -1.204500     -0.4836000    
 C   -3.676700      0.8087000      0.9415000    
 C   -4.840000      -1.095900     -0.8794000    
 C   -5.138500      0.8445000      0.4958000    
 C   -1.471100      0.3070000     -7.2999999E-02
 C   -1.027700       1.595800     -0.2910000    
 C   0.6759000     -0.5479000      8.3999999E-02
 C    1.225200      0.7332000     -0.1324000    
 C   0.3433000       1.806100     -0.3200000    
 C    2.618700      0.9131000     -0.1561000    
 C    1.552300      -1.613400      0.2707000    
 C    3.471900     -0.1702000      3.3300001E-02
 C    2.937700      -1.434900      0.2467000    
 H   -3.246500      -1.936600      0.3251000    
 H   -2.804800      -1.568800      -1.352000    
 H   -3.338500       1.840600       1.088700    
 H   -3.590100      0.3002000       1.910400    
 H   -4.942000     -0.5046000      -1.798200    
 H   -5.229000      -2.096500      -1.097400    
 H   -5.747900       1.278100       1.296100    
 H   -5.250400       1.494600     -0.3812000    
 H   -6.609000     -0.4318000     -0.1111000    
 H   -1.703600       2.428400     -0.4536000    
 H   0.7202000       2.811500     -0.4936000    
 H    3.012200       1.914000     -0.3250000    
 H    1.158200      -2.613900      0.4399000    
 H    3.566000      -2.308900      0.3994000    


%chk=000005012-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005012

0 1
O 5.578938 -1.105535 -0.665295
O 5.377896 1.148828 -0.355549
N -2.903181 0.076608 0.509038
N -5.584819 -0.412547 -0.325388
N -0.730345 -0.725961 0.151987
N 4.872567 -0.041821 -0.443963
C -3.423488 -1.311300 0.439399
C -3.954832 1.086954 0.745168
C -4.534409 -1.410584 -0.626174
C -5.061486 0.967309 -0.329767
C -1.547843 0.341571 0.384881
C -1.015018 1.690833 0.502310
C 0.621727 -0.522780 0.016313
C 1.231869 0.791722 0.108749
C 0.347712 1.897238 0.363267
C 2.634252 0.939127 -0.044377
C 1.469526 -1.656420 -0.228446
C 3.418638 -0.197351 -0.284224
C 2.845395 -1.503611 -0.377431
H -3.848488 -1.580887 1.427003
H -2.578498 -1.976012 0.209058
H -3.538244 2.104086 0.731405
H -4.410271 0.907242 1.739899
H -4.072652 -1.265190 -1.633204
H -4.976287 -2.422514 -0.592052
H -5.879394 1.668754 -0.083894
H -4.626130 1.269332 -1.314827
H -6.429652 -0.526333 -0.897590
H -1.667875 2.541715 0.706336
H 0.762512 2.907909 0.451196
H 3.115251 1.920164 0.021002
H 0.995804 -2.640071 -0.293101
H 3.505624 -2.354376 -0.564231


