%chk=000041474.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041474

0 1
 O   0.6152000       2.457400     -0.6778000    
 O   0.3136000       2.813500       1.577600    
 O  -0.9104000      -2.913700       1.083400    
 N   -1.413300      -1.267500     -9.7999997E-02
 N   -1.449700      -1.802900       1.101900    
 C   -1.111900      0.1802000     -0.1385000    
 C   -2.317800       1.037300      0.2909000    
 C   0.1459000      0.5632000      0.6533000    
 C   -3.553000      0.7099000     -0.5463000    
 C   -3.828300     -0.7909000     -0.5630000    
 C   -2.574900      -1.585400     -0.9460000    
 C    1.369800     -0.1982000      0.1812000    
 C   0.3510000       2.068900      0.6063000    
 C    1.489600     -0.5129000      -1.159700    
 C    2.335000     -0.5579000       1.103200    
 C    2.615100      -1.212900      -1.594200    
 C    3.460500      -1.257800      0.6685000    
 C    3.600500      -1.585300     -0.6802000    
 C   0.8632000       3.854900     -0.8625000    
 H  -0.9653000      0.4490000      -1.193000    
 H   -2.117400       2.107500      0.1712000    
 H   -2.543200      0.8741000       1.352600    
 H  -1.9400001E-02  0.3276000       1.715000    
 H   -3.398100       1.061000      -1.574200    
 H   -4.424400       1.245600     -0.1540000    
 H   -4.184400      -1.108100      0.4249000    
 H   -4.633100      -1.008200      -1.274500    
 H   -2.797700      -2.660400     -0.9194000    
 H   -2.316700      -1.368300      -1.991100    
 H   0.7736000     -0.2210000      -1.917800    
 H    2.235900     -0.3058000       2.154700    
 H    2.728500      -1.461600      -2.645400    
 H    4.228500      -1.547100       1.380000    
 H    4.477900      -2.128600      -1.018700    
 H    1.742000       4.162600     -0.2879000    
 H  -1.5500000E-02   4.436900     -0.5686000    
 H    1.059700       4.027500      -1.923900    


%chk=000041474-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041474

0 1
O 0.333666 2.588238 -0.791711
O 0.829824 2.828182 1.469156
O -1.488763 -3.001389 1.388881
N -1.504802 -1.187199 0.049368
N -0.986905 -1.837962 1.156225
C -1.124098 0.231636 -0.172221
C -2.358165 1.110918 0.179747
C 0.167309 0.604936 0.611893
C -3.599799 0.663154 -0.631405
C -3.905654 -0.840852 -0.429763
C -2.653220 -1.702186 -0.729059
C 1.407777 -0.178934 0.145730
C 0.467448 2.103957 0.518095
C 1.870885 -0.092209 -1.192121
C 2.113380 -0.991452 1.066307
C 3.013230 -0.814948 -1.601964
C 3.259525 -1.708538 0.658887
C 3.712552 -1.625169 -0.677917
C 0.702815 4.012748 -0.985521
H -0.918609 0.344949 -1.255422
H -2.126569 2.168273 -0.040175
H -2.559492 1.026543 1.266298
H 0.006648 0.399847 1.683369
H -3.416420 0.858897 -1.708444
H -4.477186 1.271205 -0.342096
H -4.224451 -1.024947 0.614170
H -4.733882 -1.161777 -1.089033
H -2.796036 -2.756134 -0.436430
H -2.395491 -1.655329 -1.804401
H 1.350125 0.553885 -1.907965
H 1.750432 -1.077052 2.095895
H 3.360985 -0.741212 -2.638758
H 3.791512 -2.337614 1.381040
H 4.599906 -2.184315 -0.995399
H 1.761478 4.167457 -0.719227
H 0.072487 4.660035 -0.352953
H 0.528558 4.206960 -2.053077


