%chk=000081648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081648

0 1
 O    4.230700       1.049800     -0.5468000    
 O    4.265300      -1.104700     -0.1270000    
 N   -3.861500     -0.1351000     -0.2317000    
 N   -1.879200      7.7600002E-02  0.7064000    
 N   -2.497500     -0.1395000     -0.3583000    
 N    3.648600     -1.7200001E-02 -0.2350000    
 C  -0.5008000      5.4000001E-02  0.4717000    
 C    2.249000      6.8000001E-03  3.3000000E-03
 C   0.1677000       1.227700      0.1239000    
 C   0.2057000      -1.143300      0.5855000    
 C    1.542700       1.204200     -0.1102000    
 C    1.580600      -1.166900      0.3514000    
 C   -4.550100      0.6729000      0.7599000    
 C   -4.601200     -0.5864000      -1.393000    
 H  -0.3741000       2.165700      3.3700000E-02
 H  -0.3064000      -2.062900      0.8569000    
 H    2.030100       2.137900     -0.3790000    
 H    2.098200      -2.117700      0.4495000    
 H   -4.018800      0.6637000       1.714900    
 H   -5.551700      0.2645000      0.9237000    
 H   -4.628200       1.697200      0.3854000    
 H   -4.829000      0.2753000      -2.026300    
 H   -5.528100      -1.066100      -1.067000    
 H   -4.006100      -1.312000      -1.955600    


%chk=000081648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081648

0 1
O 4.293973 0.641983 -1.079933
O 4.477374 -0.386390 0.950772
N -3.951379 0.131144 -0.343132
N -1.900116 -0.245325 0.454484
N -2.620181 0.255565 -0.540257
N 3.776113 0.096856 -0.025023
C -0.497774 -0.116235 0.247125
C 2.308175 0.022520 0.069784
C 0.122429 0.477285 -0.895754
C 0.319401 -0.635718 1.291851
C 1.519487 0.546341 -0.984206
C 1.718963 -0.570118 1.211087
C -4.514475 -0.500593 0.864204
C -4.816839 0.668035 -1.398247
H -0.506765 0.875115 -1.696448
H -0.175341 -1.086029 2.157798
H 2.019576 0.994684 -1.846960
H 2.361612 -0.963012 2.002951
H -4.146344 -1.537607 0.961393
H -5.612468 -0.492001 0.784627
H -4.192849 0.045065 1.769626
H -5.469702 1.468847 -1.003582
H -5.454269 -0.127100 -1.827908
H -4.172701 1.082187 -2.187953


