%chk=000085956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085956

0 1
 O    2.465900     -0.4994000       1.480500    
 N   0.5923000      0.8424000     -0.2189000    
 C    1.785300      0.1769000     -0.7240000    
 C    2.212700     -0.9932000      0.1655000    
 C   0.7005000       2.241700      0.1747000    
 C  -0.6175000      0.1569000     -0.1022000    
 C    3.481900      -1.681300     -0.3206000    
 C  -0.2134000       3.122900     -0.6515000    
 C   -1.537700      0.5003000      0.8991000    
 C  -0.9328000     -0.8871000     -0.9842000    
 C   -2.746700     -0.1855000       1.016000    
 C   -2.141800      -1.572700     -0.8672000    
 C   -3.048700      -1.221900      0.1328000    
 H    1.638600     -0.1536000      -1.758800    
 H    2.618100      0.8906000     -0.7692000    
 H    1.424100      -1.748000      0.2472000    
 H   0.4987000       2.367700       1.244400    
 H    1.726500       2.604500      3.7500001E-02
 H    3.764900      -2.489400      0.3626000    
 H    4.323300     -0.9801000     -0.3441000    
 H    3.345300      -2.100300      -1.322000    
 H  -1.6300000E-02   2.997500      -1.721700    
 H   -1.272400       2.910100     -0.4801000    
 H  -4.7200002E-02   4.175600     -0.4002000    
 H   -1.336600       1.288100       1.618800    
 H  -0.2635000      -1.182900      -1.786600    
 H    1.645800     -8.6999997E-02   1.801100    
 H   -3.451600      8.4700003E-02   1.796800    
 H   -2.379100      -2.377700      -1.556600    
 H   -3.990000      -1.755900      0.2239000    


%chk=000085956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085956

0 1
O 2.821521 -0.413667 1.344971
N 0.490131 0.671003 0.041010
C 1.604086 0.101483 -0.745769
C 2.410589 -0.966490 0.041793
C 0.658494 2.068351 0.504683
C -0.782789 0.056385 0.038788
C 3.694069 -1.371439 -0.685910
C 0.211714 3.131500 -0.526717
C -1.921180 0.692987 0.627629
C -0.979073 -1.240489 -0.533955
C -3.178834 0.057012 0.647654
C -2.245448 -1.858960 -0.514419
C -3.360729 -1.223770 0.077660
H 1.240807 -0.325658 -1.702017
H 2.297961 0.923779 -1.000543
H 1.771172 -1.859967 0.209955
H 0.109655 2.207401 1.454850
H 1.727764 2.209799 0.744246
H 4.237285 -2.134914 -0.104163
H 4.357572 -0.496011 -0.804806
H 3.468171 -1.785317 -1.685883
H 0.793446 3.038805 -1.462088
H -0.857064 3.019948 -0.779221
H 0.369766 4.150204 -0.126027
H -1.834564 1.689847 1.068967
H -0.143797 -1.778451 -0.990797
H 1.992199 -0.131396 1.813675
H -4.027089 0.575936 1.109665
H -2.356336 -2.853012 -0.963715
H -4.340900 -1.711001 0.093486


