%chk=000158398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158398

0 1
 O   -2.706400      0.2933000     -0.7110000    
 O    2.536200      -1.045200      -1.879300    
 O    2.968600       2.610300      0.8778000    
 N    2.896400      0.9441000     -0.7388000    
 C    1.910700     -0.8000000      0.4575000    
 C    2.095000      0.4121000       1.380900    
 C   0.4767000      -1.185400      0.3217000    
 C    2.481400     -0.3573000     -0.8699000    
 C    2.698300       1.476900      0.5086000    
 C  -0.4554000     -0.2540000     -0.1361000    
 C   6.7400001E-02  -2.477400      0.6518000    
 C   -1.796800     -0.6148000     -0.2638000    
 C   -2.866600       1.484700      5.7599999E-02
 C   -1.273900      -2.838200      0.5241000    
 C   -2.205900      -1.907000      6.6200003E-02
 C   -2.521600       2.692700     -0.7984000    
 C   -4.304100       1.565200      0.5512000    
 H    2.517700      -1.636400      0.8250000    
 H    2.811200      0.1778000       2.176400    
 H    1.173900      0.7813000       1.842000    
 H    3.305600       1.470200      -1.503000    
 H  -0.1418000      0.7502000     -0.4071000    
 H   0.7818000      -3.214000       1.009600    
 H   -2.212800       1.483600      0.9403000    
 H   -1.592700      -3.844100      0.7812000    
 H   -3.249600      -2.193400     -3.0800000E-02
 H   -2.646300       3.625900     -0.2404000    
 H   -1.486700       2.636400      -1.151100    
 H   -3.153900       2.732100      -1.692300    
 H   -4.473800       2.469300       1.143900    
 H   -4.544000      0.6934000       1.169600    
 H   -5.008200       1.557700     -0.2882000    


%chk=000158398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158398

0 1
O -3.115105 0.155172 0.274010
O 1.767790 0.514513 -2.064929
O 3.881453 1.917755 1.879756
N 2.936725 1.431647 -0.231876
C 1.867444 -0.661641 0.165760
C 2.404106 -0.076108 1.509109
C 0.423536 -1.148475 0.208633
C 2.138923 0.456311 -0.872253
C 3.179608 1.192609 1.139789
C -0.644715 -0.215671 0.193242
C 0.148406 -2.530892 0.309060
C -1.983603 -0.669791 0.275928
C -2.963296 1.622392 0.040020
C -1.192017 -2.977147 0.403395
C -2.256101 -2.058378 0.387780
C -2.689851 1.899616 -1.448882
C -4.278510 2.232554 0.534084
H 2.507396 -1.512030 -0.141086
H 3.057673 -0.769095 2.063056
H 1.575799 0.201680 2.185304
H 3.311884 2.245978 -0.725312
H -0.422217 0.851715 0.093960
H 0.970909 -3.255456 0.307674
H -2.125554 1.992639 0.667605
H -1.406465 -4.048493 0.481888
H -3.298770 -2.383609 0.452444
H -2.579463 2.986499 -1.618133
H -1.770996 1.402091 -1.803469
H -3.535372 1.536983 -2.059542
H -4.257952 3.331092 0.418293
H -4.443918 1.992174 1.598028
H -5.127345 1.833367 -0.048136


