%chk=000058653.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058653

0 1
 O    2.825900       1.843300      0.4359000    
 O    4.000800     -0.5427000     -0.3273000    
 N  -0.4722000      -2.498800     -0.1397000    
 N   -4.218000       2.034500      0.1754000    
 C   -1.495600     -0.6269000      0.4732000    
 C   -2.548300      0.3315000      0.8662000    
 C  -0.1069000     -0.3495000      0.3338000    
 C   -3.214100       1.086300     -0.3166000    
 C   0.5123000      -1.540500     -5.1399998E-02
 C   -1.689000      -1.956200      0.1754000    
 C   0.6852000      0.8041000      0.4989000    
 C   -3.894600      0.1314000      -1.297600    
 C    1.889600      -1.636000     -0.2806000    
 C    2.064100      0.7236000      0.2730000    
 C    2.654900     -0.4787000     -0.1106000    
 C    3.005900       2.674600     -0.7079000    
 H   -3.323500     -0.2000000       1.435900    
 H   -2.125600       1.066300       1.564600    
 H   -2.445200       1.650900     -0.8584000    
 H   -2.581400      -2.566400      0.1595000    
 H  -0.3181000      -3.463200     -0.3996000    
 H   0.2337000       1.746400      0.7975000    
 H   -4.427200      0.6861000      -2.079000    
 H   -4.620400     -0.5155000     -0.7923000    
 H   -3.164600     -0.5037000      -1.808900    
 H    2.345300      -2.574600     -0.5793000    
 H   -4.596500       2.570000     -0.6050000    
 H   -3.773900       2.708600      0.7976000    
 H    4.388700      0.3259000     -0.1251000    
 H    3.667300       3.500100     -0.4309000    
 H    2.046400       3.089400      -1.032700    
 H    3.468800       2.115700      -1.527400    


%chk=000058653-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058653

0 1
O 3.000197 1.640954 -0.370215
O 4.041535 -0.776044 -0.665464
N -0.434822 -2.706417 0.272688
N -3.941649 2.193818 -0.041759
C -1.483850 -0.687942 0.546812
C -2.545694 0.351876 0.799449
C -0.081212 -0.452456 0.239404
C -2.994857 1.137137 -0.469698
C 0.550139 -1.733704 0.072825
C -1.656196 -2.073114 0.559085
C 0.701956 0.729940 0.100169
C -3.694148 0.223663 -1.492804
C 1.924250 -1.877818 -0.229343
C 2.063854 0.588966 -0.197261
C 2.674063 -0.702128 -0.363864
C 2.506995 3.007351 -0.226597
H -3.451112 -0.108306 1.237585
H -2.176355 1.088990 1.545076
H -2.075500 1.551025 -0.954513
H -2.557121 -2.651658 0.755643
H -0.286639 -3.711515 0.229202
H 0.244712 1.715829 0.227798
H -3.989344 0.790997 -2.396640
H -4.607093 -0.209663 -1.044599
H -3.023762 -0.594939 -1.806709
H 2.414856 -2.846523 -0.358634
H -4.384632 2.696858 -0.817931
H -3.562973 2.834998 0.664129
H 4.392117 0.153356 -0.714044
H 3.377126 3.657588 -0.401039
H 2.109188 3.179839 0.792339
H 1.719773 3.225042 -0.974490


