%chk=000003779.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003779

0 1
 O  -0.9777000      0.7590000      -1.952300    
 O    3.908500       1.488300      0.8978000    
 O    4.491600      -1.171200      0.3411000    
 N   -3.089800      0.5721000     -4.8000002E-03
 C  -0.7058000      0.8367000     -0.5536000    
 C   -1.755400      4.5899998E-02  0.2368000    
 C   -4.089100     -0.1848000      0.7478000    
 C   0.6886000      0.3013000     -0.3126000    
 C   -4.059500      -1.654300      0.3372000    
 C   -5.468800      0.4220000      0.5128000    
 C    1.661700       1.150600      0.1853000    
 C   0.9613000      -1.025800     -0.5958000    
 C    2.947400      0.6572000      0.4070000    
 C    2.246900      -1.519200     -0.3742000    
 C    3.239900     -0.6777000      0.1274000    
 H  -0.7549000       1.896600     -0.2739000    
 H   -1.513400      7.6800004E-02   1.306700    
 H   -1.705400     -0.9934000     -9.6799999E-02
 H   -3.877500     -0.1128000       1.822400    
 H   -3.126800       1.554800      0.2646000    
 H   -4.943500      -2.174300      0.7251000    
 H   -4.067100      -1.774400     -0.7522000    
 H   -3.194200      -2.186400      0.7452000    
 H   -5.495800       1.472300      0.8240000    
 H   -6.231200     -0.1126000       1.089700    
 H   -5.753100      0.3747000     -0.5445000    
 H    1.432300       2.190200      0.4029000    
 H   0.2087000      -1.693700      -1.003300    
 H   -1.889900       1.067500      -2.088000    
 H    2.469700      -2.559000     -0.5976000    
 H    3.525600       2.372400       1.031000    
 H    5.048200     -0.4531000      0.6891000    


%chk=000003779-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003779

0 1
O -1.337843 0.186042 -1.850458
O 3.934499 1.282008 1.178353
O 4.566778 -1.200899 0.319853
N -3.078210 0.664837 0.122791
C -0.739257 0.807102 -0.674935
C -1.667141 0.479412 0.544152
C -4.110345 -0.209678 0.761388
C 0.674283 0.292775 -0.457734
C -4.030043 -1.643524 0.195056
C -5.500108 0.407587 0.504890
C 1.617365 1.090464 0.240194
C 1.051588 -0.998995 -0.896168
C 2.904263 0.585172 0.496621
C 2.346909 -1.500905 -0.638961
C 3.278698 -0.713844 0.063870
H -0.710962 1.915151 -0.803280
H -1.377385 1.090275 1.426221
H -1.519726 -0.581934 0.808849
H -3.947599 -0.258303 1.864619
H -3.359378 1.654799 0.159255
H -4.764403 -2.296779 0.700819
H -4.248253 -1.636137 -0.888180
H -3.029363 -2.088628 0.337155
H -5.585257 1.415959 0.954093
H -6.292448 -0.224478 0.942221
H -5.685227 0.493290 -0.581818
H 1.347673 2.104465 0.567789
H 0.326805 -1.585268 -1.467717
H -2.325474 0.214720 -1.633075
H 2.654365 -2.492988 -0.982937
H 3.657979 2.196270 1.424996
H 5.078716 -0.502268 0.806379


