%chk=000053536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053536

0 1
 O    1.623800      -1.030200      -1.848100    
 O    3.898500     -0.6653000      -1.973600    
 O    5.289600       1.986400       1.148300    
 O    3.992200       1.976300     -0.7113000    
 O   -3.169800      -2.255200      0.7511000    
 N    2.734300     -0.2934000      2.0700000E-02
 C    3.795200      0.1461000      0.8915000    
 C    1.406700     -0.4285000      0.3644000    
 C   0.7623000     -0.8712000     -0.7728000    
 C    2.868700     -0.6548000      -1.310000    
 C   0.7389000     -0.2038000       1.549900    
 C  -0.5949000      -1.114600     -0.7878000    
 C   -1.299300     -0.8957000      0.3995000    
 C    4.849500     -0.9153000       1.005000    
 C  -0.6377000     -0.4441000       1.558700    
 C    4.344000       1.445200      0.3343000    
 C   -2.733300      -1.137200      0.4404000    
 C   -3.733300     -7.5400002E-02  0.1177000    
 C   -3.276400       1.174300     -0.2307000    
 C   -5.070800     -0.3902000      0.1817000    
 C   -4.210000       2.165800     -0.5322000    
 C   -6.004400      0.6015000     -0.1199000    
 C   -5.574000       1.879400     -0.4768000    
 H    3.385200      0.3683000       1.881900    
 H    1.237000      0.1433000       2.446600    
 H   -1.091300      -1.462400      -1.687300    
 H    4.417100      -1.879500       1.294600    
 H    5.592000     -0.6457000       1.764500    
 H    5.401000      -1.062700      7.0400000E-02
 H   -1.197500     -0.2780000       2.476500    
 H   -2.225100       1.434600     -0.2847000    
 H   -5.429700      -1.376800      0.4568000    
 H    5.640200       2.829500      0.7901000    
 H   -3.875500       3.161000     -0.8103000    
 H   -7.066600      0.3789000     -7.6899998E-02
 H   -6.301000       2.651400     -0.7116000    


%chk=000053536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053536

0 1
O 1.312698 -0.128620 -1.724845
O 3.637855 -0.024111 -2.180959
O 5.797190 1.295704 1.461360
O 4.016053 2.252681 0.311499
O -3.196809 -1.052134 2.275068
N 2.762151 -0.236543 0.044790
C 4.017360 -0.192036 0.806663
C 1.459037 -0.274037 0.579526
C 0.570341 -0.214778 -0.523353
C 2.715268 -0.114593 -1.361442
C 0.962044 -0.377038 1.892392
C -0.814838 -0.244053 -0.387061
C -1.330020 -0.344923 0.939658
C 5.050886 -1.242281 0.333048
C -0.439209 -0.420257 2.049209
C 4.570472 1.249081 0.794684
C -2.802329 -0.454337 1.222935
C -3.809941 0.135155 0.276069
C -3.549922 1.300316 -0.495945
C -5.100571 -0.458210 0.221857
C -4.559386 1.850535 -1.315807
C -6.100873 0.081932 -0.609830
C -5.832214 1.238151 -1.382802
H 3.764366 -0.412876 1.860955
H 1.621500 -0.421732 2.764361
H -1.469244 -0.224123 -1.261457
H 4.618496 -2.252913 0.427754
H 5.952999 -1.176206 0.960824
H 5.329410 -1.072197 -0.718200
H -0.880826 -0.522728 3.045194
H -2.576424 1.797244 -0.429138
H -5.295161 -1.336858 0.845674
H 6.140300 2.230052 1.465269
H -4.355076 2.756545 -1.896542
H -7.088363 -0.389978 -0.655072
H -6.611619 1.662170 -2.025738


