%chk=000040522.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040522

0 1
 O    1.548300     -0.8473000     -0.2326000    
 O    2.772100      0.4294000       1.253700    
 N   -2.060600     -0.8725000      0.3235000    
 C   0.3196000     -0.1860000      8.7300003E-02
 C   0.3965000       1.239800     -0.4544000    
 C  -0.9190000       1.986900     -0.6267000    
 C  -0.8318000      -1.029800     -0.4658000    
 C   -1.985100       1.663500      0.4117000    
 C   -2.771700      0.3894000      8.7800004E-02
 C   -2.967200      -1.997500      6.7599997E-02
 C    2.677900     -0.2450000      0.2371000    
 C    3.820900     -0.5309000     -0.6892000    
 H   0.2400000     -0.1646000       1.183200    
 H   0.9258000       1.252500      -1.416900    
 H    1.021600       1.841800      0.2172000    
 H   -1.315400       1.797100      -1.632100    
 H  -0.7041000       3.062600     -0.5926000    
 H   -1.000100     -0.8270000      -1.531700    
 H  -0.5123000      -2.080200     -0.4154000    
 H   -1.556600       1.617500       1.420000    
 H   -2.702800       2.494200      0.4222000    
 H   -3.660000      0.4037000      0.7333000    
 H   -3.140200      0.4389000     -0.9457000    
 H   -2.489500      -2.947700      0.3316000    
 H   -3.276900      -2.045200     -0.9827000    
 H   -3.865500      -1.922300      0.6908000    
 H    3.602000     -0.1305000      -1.682300    
 H    3.998000      -1.608200     -0.7382000    
 H    4.725000     -4.6000000E-02 -0.3098000    


%chk=000040522-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040522

0 1
O 1.614925 -0.527386 -0.617169
O 2.746331 0.388340 1.210696
N -1.961480 -0.856738 0.252783
C 0.321241 0.078720 -0.131010
C 0.274846 1.549469 -0.595108
C -1.152240 2.159344 -0.637446
C -0.795075 -0.840455 -0.664318
C -2.113975 1.686691 0.483822
C -2.825090 0.346484 0.184963
C -2.758229 -2.095515 0.123391
C 2.753536 -0.291162 0.158537
C 3.958654 -0.972196 -0.457585
H 0.320581 0.015572 0.971920
H 0.722134 1.606602 -1.606851
H 0.921887 2.139036 0.080008
H -1.627874 1.933003 -1.613448
H -1.050590 3.260795 -0.595926
H -1.072912 -0.558869 -1.710907
H -0.380557 -1.863581 -0.702082
H -1.587937 1.619359 1.455594
H -2.910148 2.447468 0.605996
H -3.635106 0.200625 0.925990
H -3.319007 0.434182 -0.821189
H -2.110175 -2.975804 0.280221
H -3.259054 -2.206158 -0.871943
H -3.545119 -2.110065 0.899126
H 4.146850 -0.568436 -1.467704
H 3.771149 -2.054294 -0.566573
H 4.841333 -0.808431 0.177113


