%chk=000013743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013743

0 1
 O   -3.217000      4.3499999E-02  0.6205000    
 O    1.994200      0.2357000       2.219900    
 O   0.1673000     -0.1510000      -2.088600    
 O    1.879000       3.843000     -0.6138000    
 O   -4.287900      -1.237500     -0.9644000    
 N    1.846100       2.060900      0.8382000    
 N   0.9330000       1.868000      -1.313800    
 N   -5.470400     -8.8500001E-02  0.6383000    
 C   0.5222000      6.6500001E-02  0.3003000    
 C   0.7542000      -1.451100      0.3381000    
 C  -0.8747000      0.3816000      0.8646000    
 C    2.168600      -1.793600     -0.1063000    
 C    1.536100      0.7598000       1.204900    
 C   0.5387000      0.5488000      -1.146700    
 C   -1.958800     -0.3042000      5.9300002E-02
 C    2.404500      -3.302300     -3.9500002E-02
 C    1.559300       2.677500     -0.3737000    
 C    3.824100      -3.662900     -0.4478000    
 C   -4.318600     -0.4941000      1.0600000E-02
 H   6.6799998E-02  -1.990700     -0.3227000    
 H   0.5877000      -1.837800       1.352200    
 H   -1.062600       1.464100      0.8707000    
 H  -0.9493000      7.6200001E-02   1.917200    
 H    2.344600      -1.455400      -1.134100    
 H    2.922000      -1.304600      0.5190000    
 H   -1.966900      2.4700001E-02 -0.9828000    
 H   -1.870800      -1.393100      0.1023000    
 H    1.698500      -3.820800     -0.6987000    
 H    2.223900      -3.664400      0.9795000    
 H    2.410700       2.594900       1.493100    
 H   0.8244000       2.259800      -2.245100    
 H    4.555700      -3.189600      0.2149000    
 H    4.030800      -3.341700      -1.473600    
 H    3.969700      -4.746400     -0.3953000    
 H   -5.444300      0.5285000       1.443000    
 H   -6.382900     -0.3934000      0.3166000    


%chk=000013743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013743

0 1
O -3.544835 0.140377 -0.186937
O 1.080494 0.237273 2.441417
O 0.256341 0.263587 -2.355906
O 2.696940 3.628237 -0.290705
O -3.662936 -1.614285 1.392940
N 1.841902 1.912472 1.048647
N 1.416185 1.936930 -1.273570
N -5.436222 -0.111100 1.048649
C 0.350806 0.110080 0.097696
C 0.659864 -1.421295 0.041100
C -1.175177 0.367318 0.424940
C 2.156919 -1.756447 -0.136813
C 1.117551 0.727888 1.284929
C 0.667516 0.744871 -1.266890
C -2.171705 -0.301594 -0.539878
C 2.407075 -3.281555 -0.181322
C 2.030080 2.570917 -0.178228
C 3.899509 -3.636394 -0.350339
C -4.180003 -0.624095 0.818711
H 0.090703 -1.852971 -0.801402
H 0.282327 -1.870726 0.978008
H -1.374092 1.457096 0.435156
H -1.350286 -0.019819 1.445246
H 2.538192 -1.303467 -1.075743
H 2.745167 -1.323357 0.697617
H -2.035111 0.019756 -1.581917
H -2.125713 -1.400883 -0.469623
H 1.822665 -3.722892 -1.013920
H 2.019192 -3.739049 0.751113
H 2.302862 2.341897 1.857928
H 1.571964 2.380029 -2.185386
H 4.500844 -3.230249 0.484719
H 4.304314 -3.217917 -1.291103
H 4.052386 -4.730653 -0.374885
H -5.771697 0.688968 0.517830
H -6.026121 -0.558555 1.744223


