%chk=000068936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068936

0 1
 O   -2.215900       1.058600      3.8999999E-03
 O   -1.820300      -2.402600      0.4419000    
 N   -3.413400     -0.8564000     -0.2742000    
 C   -3.533900      0.5693000     -0.2871000    
 C   -1.466200      4.9000001E-03  0.6244000    
 C   -2.208700      -1.258400      0.2677000    
 C   -4.489800       1.054000      0.7998000    
 C   -3.945800       1.083400      -1.659800    
 C  -8.6099997E-02 -1.8700000E-02  7.5800002E-02
 C    1.012600      0.1226000      0.8333000    
 C    2.397100      0.1147000      0.3320000    
 C    2.668800     -0.4492000     -0.9045000    
 C    3.403100      0.6711000       1.106200    
 C    3.980500     -0.4568000      -1.379200    
 C    4.714700      0.6637000      0.6313000    
 C    5.003400      9.9799998E-02 -0.6114000    
 H   -1.500900      0.1445000       1.710400    
 H   -4.138300      -1.498400     -0.5795000    
 H   -4.165600      0.7180000       1.791700    
 H   -4.518200       2.148800      0.8345000    
 H   -5.506200      0.6817000      0.6338000    
 H   -3.964300       2.178800      -1.679200    
 H   -3.227400      0.7686000      -2.425900    
 H   -4.934000      0.7104000      -1.949300    
 H  -1.4700000E-02 -0.1270000      -1.002900    
 H   0.8996000      0.2625000       1.906200    
 H    1.909400     -0.9134000      -1.525800    
 H    3.194100       1.115300       2.075700    
 H    4.206800     -0.9006000      -2.344400    
 H    5.511300       1.096900       1.229100    
 H    6.024800      9.2799999E-02 -0.9806000    


%chk=000068936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068936

0 1
O -2.282759 1.090997 -0.073454
O -1.904322 -2.411513 0.806751
N -3.478334 -0.893244 -0.096785
C -3.662324 0.561446 -0.296821
C -1.459836 0.063597 0.631235
C -2.270596 -1.256167 0.473440
C -4.618314 1.163618 0.753382
C -4.065009 0.911460 -1.735234
C -0.088691 0.014607 0.024190
C 1.049375 0.192352 0.751694
C 2.440581 0.140188 0.262888
C 2.781990 -0.166030 -1.086117
C 3.497497 0.409613 1.177710
C 4.128100 -0.193809 -1.500400
C 4.846312 0.381058 0.764408
C 5.168482 0.080099 -0.578635
H -1.396432 0.308770 1.711713
H -4.212547 -1.575081 -0.289289
H -4.269839 0.921517 1.772101
H -4.649244 2.260784 0.643488
H -5.643684 0.768682 0.628428
H -4.021346 2.005230 -1.871509
H -3.369763 0.440267 -2.448955
H -5.095154 0.574341 -1.952349
H -0.061200 -0.182527 -1.054891
H 0.938569 0.398902 1.827518
H 1.992630 -0.388594 -1.812433
H 3.253298 0.643649 2.221590
H 4.371532 -0.432554 -2.541915
H 5.643199 0.591623 1.486347
H 6.214327 0.055620 -0.904196


