%chk=000066487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066487

0 1
 O  -0.6175000      -3.432000      0.1002000    
 O   -2.399500       2.307600      0.2530000    
 O   -3.125300      -2.968000     -0.1849000    
 N   0.1797000       2.060500      0.5639000    
 N    1.923300      -2.424200      0.4847000    
 C   -1.381100      0.1675000      0.2412000    
 C   -1.573400      -1.210900      0.1267000    
 C  -9.2600003E-02  0.6789000      0.4370000    
 C   -3.882900      0.5405000     -4.8700001E-02
 C   -4.075300     -0.8379000     -0.1630000    
 C   -2.528800       1.093600      0.1572000    
 C  -0.4770000      -2.077900      0.2075000    
 C   -2.927500      -1.764000     -7.9599999E-02
 C   0.8054000      -1.564000      0.4024000    
 C   0.9972000     -0.1887000      0.5169000    
 C   -4.979300       1.407500     -0.1294000    
 C   -5.363900      -1.349400     -0.3581000    
 C    1.300700       2.842400      0.2339000    
 C   -6.261700      0.8937000     -0.3238000    
 C   -6.453600     -0.4818000     -0.4381000    
 C    3.277600      -2.259600      0.1415000    
 C    1.597300       3.991200      0.9716000    
 C    2.123300       2.474300     -0.8338000    
 C    4.268100      -2.949300      0.8445000    
 C    3.637100      -1.405300     -0.9035000    
 C    2.709000       4.767200      0.6436000    
 C    3.235100       3.250300      -1.161600    
 C    5.611000      -2.785400      0.5045000    
 C    4.980000      -1.241700      -1.243500    
 C    3.527900       4.396700     -0.4228000    
 C    5.966900      -1.931800     -0.5395000    
 H    1.991100      0.1978000      0.7263000    
 H  -0.5618000       2.582200       1.021500    
 H   -4.858900       2.484100     -4.3800000E-02
 H   -5.541900      -2.417400     -0.4503000    
 H    1.701900      -3.342100      0.8603000    
 H   -7.111800       1.566800     -0.3863000    
 H   -7.453100     -0.8791000     -0.5895000    
 H   -1.544800      -3.677600     -3.1800002E-02
 H   0.9676000       4.290600       1.805800    
 H    1.905600       1.603000      -1.445300    
 H    4.003900      -3.616900       1.660700    
 H    2.889300     -0.8741000      -1.485800    
 H    2.937000       5.659900       1.218600    
 H    3.869600       2.965200      -1.995600    
 H    6.379400      -3.322700       1.052600    
 H    5.256900     -0.5809000      -2.059800    
 H    4.392700       5.001600     -0.6791000    
 H    7.012400      -1.805200     -0.8051000    


%chk=000066487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066487

0 1
O -0.580735 -3.354917 -0.040378
O -2.483707 2.460184 0.195339
O -2.999538 -3.066213 -0.056129
N 0.091911 2.201237 0.123471
N 1.889622 -2.428788 0.079764
C -1.406100 0.297849 0.050289
C -1.572510 -1.132963 0.009345
C -0.061257 0.825847 0.070329
C -3.920301 0.525215 0.054229
C -4.078505 -0.895495 -0.004055
C -2.572822 1.160061 0.100195
C -0.448970 -1.994165 -0.011770
C -2.890760 -1.755147 -0.017866
C 0.899648 -1.456614 0.037963
C 1.063471 -0.062667 0.091858
C -5.074915 1.347429 0.075013
C -5.378097 -1.467405 -0.041751
C 1.267836 2.979177 -0.036944
C -6.359663 0.772908 0.034593
C -6.513471 -0.638513 -0.023914
C 3.300892 -2.331577 0.033905
C 1.361482 4.194091 0.696537
C 2.301979 2.645708 -0.955940
C 4.044477 -3.434210 0.543900
C 4.001977 -1.234519 -0.538036
C 2.473465 5.044361 0.530151
C 3.415550 3.498824 -1.107594
C 5.451438 -3.433379 0.494994
C 5.412854 -1.242219 -0.573430
C 3.513639 4.698230 -0.364545
C 6.148723 -2.332226 -0.056866
H 2.055897 0.364216 0.230683
H -0.837821 2.690331 0.233633
H -4.929864 2.430820 0.122706
H -5.463834 -2.557453 -0.083677
H 1.499573 -3.377268 0.156938
H -7.245897 1.416654 0.048473
H -7.515665 -1.078804 -0.053999
H -1.661582 -3.528185 -0.054801
H 0.562000 4.455584 1.398631
H 2.205988 1.755818 -1.586154
H 3.511087 -4.284288 0.986656
H 3.462582 -0.401264 -0.993501
H 2.530917 5.975438 1.104629
H 4.199617 3.235029 -1.826477
H 6.004585 -4.290333 0.894520
H 5.937986 -0.390454 -1.019842
H 4.379146 5.357224 -0.489411
H 7.242970 -2.327969 -0.088265


