%chk=000040791.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040791

0 1
 O   0.7947000      -1.135100      7.8500003E-02
 N    4.446500      -1.350900      0.4106000    
 C  -0.2221000     -0.2685000      0.6116000    
 C   2.2299999E-02   1.148200      0.2145000    
 C   -1.613200     -0.7767000      0.2457000    
 C    2.074600     -0.7631000      0.5535000    
 C    3.108900      -1.707500     -3.8100000E-02
 C  -0.3892000       2.187300       1.049300    
 C   -2.660500     -0.5185000       1.103600    
 C   0.6628000       1.434200     -0.9912000    
 C   -1.776000      -1.476400     -0.9305000    
 C  -0.1606000       3.512300      0.6782000    
 C   -3.932500     -0.9828000      0.7691000    
 C   0.8915000       2.759300      -1.362100    
 C   -3.048100      -1.940600      -1.265000    
 C   0.4798000       3.798400     -0.5274000    
 C   -4.126400      -1.693700     -0.4151000    
 C    5.447600      -2.226000     -0.1853000    
 H  -0.1355000     -0.3536000       1.705300    
 H    2.367200      0.2594000      0.3039000    
 H    2.090400     -0.8541000       1.647600    
 H    2.862200      -2.738700      0.2446000    
 H    3.044300      -1.658700      -1.132500    
 H  -0.8840000       1.981900       1.994600    
 H   -2.520400      2.9100001E-02   2.030300    
 H   0.9689000      0.6488000      -1.677300    
 H  -0.9527000      -1.669400      -1.611000    
 H  -0.4801000       4.321400       1.328600    
 H   -4.772000     -0.7917000       1.431200    
 H    1.384000       2.982500      -2.304000    
 H   -3.199900      -2.491900      -2.188300    
 H    4.497700      -1.419600       1.426600    
 H   0.6566000       4.830100     -0.8169000    
 H   -5.117000      -2.054800     -0.6757000    
 H    5.286900      -3.271300      9.8200001E-02
 H    6.442300      -1.931500      0.1635000    
 H    5.445100      -2.145700      -1.277100    


%chk=000040791-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040791

0 1
O 0.841084 -1.036768 0.036166
N 4.492987 -1.588919 0.508087
C -0.227660 -0.216048 0.639608
C -0.050639 1.267672 0.309374
C -1.565527 -0.793160 0.163992
C 2.172273 -0.766789 0.596115
C 3.144014 -1.747226 -0.071785
C 0.159866 2.217161 1.336971
C -2.764818 -0.075605 0.404678
C -0.072837 1.703698 -1.039912
C -1.633932 -2.055825 -0.472424
C 0.336661 3.586644 1.028002
C -4.012365 -0.613066 0.019617
C 0.109591 3.066946 -1.352394
C -2.883055 -2.589757 -0.865108
C 0.312239 4.013999 -0.318461
C -4.076604 -1.874093 -0.618561
C 5.559451 -2.317349 -0.203340
H -0.168816 -0.327936 1.748896
H 2.486369 0.276126 0.397075
H 2.150696 -0.921499 1.700661
H 2.732813 -2.782988 0.014817
H 3.199603 -1.512418 -1.151302
H 0.186645 1.885133 2.383208
H -2.720595 0.910318 0.882767
H -0.230910 0.966410 -1.835094
H -0.705081 -2.600823 -0.659292
H 0.496933 4.313500 1.832307
H -4.931188 -0.047334 0.211852
H 0.092078 3.395308 -2.397868
H -2.923331 -3.565822 -1.362496
H 4.498107 -1.787815 1.517238
H 0.451254 5.073377 -0.562097
H -5.044002 -2.290472 -0.921771
H 5.388720 -3.418602 -0.292503
H 6.523503 -2.160298 0.312290
H 5.660571 -1.913580 -1.227813


