%chk=000077519.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077519

0 1
 O    1.373800       2.571000     -0.1128000    
 O   0.3952000      -1.717200       1.343400    
 O   -1.548500       1.026600      -1.016600    
 O   -3.730400      -1.671300     -5.2299999E-02
 O   -5.565400      -1.038100      -1.226600    
 N   0.5080000      0.5658000      0.7684000    
 N   -3.084300      0.7443000      0.7049000    
 C    2.560800      0.5204000     -0.1873000    
 C    2.266700     -0.7630000      0.2490000    
 C  -0.7702000       1.029400       1.270600    
 C    1.426300       1.382200      0.1423000    
 C   0.9399000     -0.7402000      0.8641000    
 C    3.751000      0.8231000     -0.8160000    
 C    3.147500      -1.811400      7.9599999E-02
 C   -1.813100      0.9218000      0.1784000    
 C    4.659400     -0.2236000     -0.9980000    
 C    4.360500      -1.528200     -0.5547000    
 C   -4.275200      0.6597000     -0.1098000    
 C   -4.602100     -0.7512000     -0.5266000    
 H   -1.053200      0.4189000       2.134200    
 H  -0.6915000       2.079900       1.568400    
 H    3.980800       1.825500      -1.157400    
 H    2.918000      -2.814400      0.4199000    
 H    5.610200     -3.1599998E-02  -1.488400    
 H    5.085100      -2.323400     -0.7096000    
 H   -3.200200      0.6664000       1.711100    
 H   -4.137800       1.265800      -1.010100    
 H   -5.104700       1.049600      0.4865000    
 H   -3.964900      -2.580400     -0.3367000    


%chk=000077519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077519

0 1
O 0.789760 2.191321 0.434519
O 1.087431 -2.468032 1.021316
O -1.314665 -0.396549 -1.123147
O -5.453193 0.569180 1.229722
O -6.479595 0.380090 -0.850760
N 0.630947 -0.139791 0.863442
N -3.029223 0.065929 0.369994
C 2.634282 0.584835 -0.066919
C 2.722399 -0.818557 0.107660
C -0.757613 -0.175143 1.282413
C 1.287285 1.039534 0.403239
C 1.435669 -1.307200 0.697272
C 3.699060 1.323378 -0.603350
C 3.877694 -1.529233 -0.249085
C -1.708576 -0.173879 0.057067
C 4.872152 0.613307 -0.969615
C 4.960075 -0.791293 -0.795369
C -4.048097 0.067184 -0.680492
C -5.445260 0.344872 -0.158322
H -0.910783 -1.106432 1.858600
H -0.967542 0.694727 1.930410
H 3.619059 2.406915 -0.734879
H 3.933243 -2.613537 -0.111489
H 5.723044 1.155715 -1.395480
H 5.877416 -1.312382 -1.089521
H -3.332898 0.278385 1.322957
H -4.065582 -0.902409 -1.214923
H -3.814435 0.822927 -1.456233
H -6.380355 0.752539 1.538873