%chk=000096449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096449

0 1
 O  -0.2478000       2.200200     -0.6738000    
 O   -1.628800      -2.277100     -0.4237000    
 N  -0.9631000     -3.4899998E-02 -0.5549000    
 N   0.6016000      -1.790100      2.6000001E-02
 N    2.461200       1.177800      7.6800004E-02
 N    2.886600     -0.9790000      0.4472000    
 C    1.280700      0.5178000     -0.1110000    
 C    1.569000     -0.7992000      0.1219000    
 C  -8.6000003E-03   1.013400     -0.4689000    
 C  -0.7263000      -1.438100     -0.3235000    
 C   -2.324400      0.3480000     -0.9146000    
 C    3.397900      0.2342000      0.4113000    
 C   0.9571000      -3.180100      0.2834000    
 C   -3.111600      0.6541000      0.3274000    
 C    2.704800       2.595100     -4.5899998E-02
 C   -2.636100       1.801100       1.173400    
 C   -4.212200     -4.3299999E-02  0.6491000    
 H   -2.789300     -0.4553000      -1.497900    
 H   -2.306800       1.233300      -1.561200    
 H    4.429500      0.4866000      0.6165000    
 H    1.732800      -3.485900     -0.4254000    
 H   9.5299996E-02  -3.842500      0.1703000    
 H    1.336800      -3.266400       1.306200    
 H    3.755400       2.805300      0.1701000    
 H    2.470100       2.899400      -1.068900    
 H    2.068300       3.119100      0.6713000    
 H   -1.681800       1.570100       1.655500    
 H   -2.529500       2.707700      0.5699000    
 H   -3.348800       2.033400       1.972900    
 H   -4.562600     -0.8629000      3.0600000E-02
 H   -4.787200      0.1873000       1.539700    


%chk=000096449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096449

0 1
O -0.230434 2.264884 -0.792503
O -1.641420 -2.225950 -0.406423
N -0.928476 0.012946 -0.527997
N 0.604966 -1.759897 0.072585
N 2.590664 1.198416 0.023591
N 2.934985 -1.020694 0.476207
C 1.354483 0.551648 -0.139389
C 1.604099 -0.802157 0.144836
C 0.058531 1.058771 -0.509797
C -0.711005 -1.380821 -0.291101
C -2.332896 0.402735 -0.870072
C 3.495080 0.215957 0.390689
C 0.908932 -3.178383 0.347238
C -3.214213 0.621500 0.358542
C 2.855609 2.634343 -0.159823
C -2.790874 1.723678 1.311122
C -4.333496 -0.125637 0.540892
H -2.750983 -0.392662 -1.505982
H -2.246135 1.341722 -1.445845
H 4.542870 0.430745 0.587362
H 1.679397 -3.542161 -0.352907
H -0.022150 -3.748476 0.218666
H 1.287613 -3.290320 1.376784
H 3.920530 2.827390 0.046261
H 2.616164 2.939603 -1.190832
H 2.232093 3.229770 0.525951
H -1.822945 1.481726 1.792308
H -2.640062 2.678333 0.773540
H -3.537530 1.873484 2.109330
H -4.597212 -0.938636 -0.144443
H -5.003986 0.047245 1.391011


