%chk=000018242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018242

0 1
 O   -1.279800     -9.3099996E-02  0.3102000    
 O   0.8029000     -0.7818000      -1.220600    
 O   0.1081000     -0.9855000       1.912100    
 N   -4.909400     -0.4317000       1.011300    
 C   -3.667100     -9.8999999E-03  0.3496000    
 C   -3.777500     -0.6719000      -1.025500    
 C   -5.271900     -0.8611000      -1.262100    
 C   -5.945500     -0.3080000     -1.7100001E-02
 C   -2.408900     -0.4484000       1.088500    
 C   -5.232000      0.3595000       2.192500    
 C    1.081000      5.3900000E-02 -7.8599997E-02
 C  -5.0799999E-02 -0.4200000      0.8367000    
 C    2.482800     -0.2383000      0.4623000    
 C   0.9442000       1.526200     -0.4730000    
 C   0.8701000      -2.149300     -0.8689000    
 C    2.745400     -0.1071000       1.826000    
 C    1.257900       1.932800      -1.770000    
 C    3.497500     -0.6362000     -0.4082000    
 C   0.5053000       2.461600      0.4643000    
 C    1.069300      -2.972700      -2.132100    
 C    4.022700     -0.3735000       2.319200    
 C    1.133000       3.274700      -2.129600    
 C    4.774800     -0.9027000      8.5100003E-02
 C   0.3804000       3.803400      0.1044000    
 C    5.037300     -0.7713000       1.448700    
 C   0.6942000       4.210000      -1.192500    
 C    1.136100      -4.459500      -1.832500    
 H   -3.647500       1.079300      0.2001000    
 H   -3.277200      -1.647500      -1.057700    
 H   -3.330300     -4.4599999E-02  -1.804400    
 H   -5.495200      -1.927700      -1.382900    
 H   -5.608800     -0.3434000      -2.165800    
 H   -6.226900      0.7397000     -0.1848000    
 H   -6.847400     -0.8739000      0.2370000    
 H   -2.414200      -1.533500       1.251500    
 H   -2.344400      5.2099999E-02   2.061400    
 H   -4.481700      0.2158000       2.976300    
 H   -6.189900      3.7000000E-02   2.615700    
 H   -5.299300       1.430900       1.971900    
 H    1.650300      -2.420100     -0.1515000    
 H  -8.9800000E-02  -2.464900     -0.4406000    
 H    2.001100      0.2551000       2.527900    
 H    1.609500       1.224900      -2.515300    
 H    3.328000     -0.7248000      -1.477600    
 H   0.2655000       2.171500       1.483500    
 H   0.2536000      -2.771000      -2.836900    
 H    1.989400      -2.656400      -2.637500    
 H    4.231200     -0.2582000       3.378900    
 H    1.379400       3.591900      -3.138700    
 H    5.566500      -1.206900     -0.5933000    
 H   4.1200001E-02   4.532300      0.8346000    
 H    6.032900     -0.9746000       1.832000    
 H   0.5980000       5.255000      -1.472200    
 H    1.972500      -4.688600      -1.164300    
 H   0.2123000      -4.806900      -1.359100    
 H    1.276900      -5.026400      -2.758000    


%chk=000018242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018242

0 1
O -1.322894 -0.021181 0.416462
O 1.106288 -1.186936 -1.280854
O -0.234777 -1.800601 1.428151
N -4.977987 0.115025 1.210214
C -3.708914 0.454952 0.494541
C -4.038430 0.300237 -1.019067
C -5.364864 -0.506993 -1.042490
C -6.080282 0.004428 0.223457
C -2.620028 -0.508622 0.987006
C -5.274403 0.903266 2.413398
C 1.048177 -0.285942 -0.088063
C -0.200839 -0.775703 0.701340
C 2.358926 -0.363771 0.716446
C 0.848435 1.133398 -0.652989
C 1.478593 -2.602066 -1.039640
C 2.432248 -0.632533 2.103771
C 0.457561 1.338242 -1.996644
C 3.560326 -0.110845 0.001650
C 1.037017 2.254655 0.191924
C 1.498916 -3.281750 -2.413341
C 3.684387 -0.640087 2.764005
C 0.264005 2.648660 -2.489314
C 4.807351 -0.128769 0.656602
C 0.833924 3.562550 -0.297551
C 4.874326 -0.390724 2.046632
C 0.446771 3.765786 -1.642875
C 1.879123 -4.774997 -2.299568
H -3.375728 1.494080 0.712615
H -3.214836 -0.184942 -1.569831
H -4.195403 1.296483 -1.470699
H -5.167981 -1.590593 -0.950296
H -5.951845 -0.338105 -1.961345
H -6.563037 0.994123 0.018167
H -6.863646 -0.684363 0.590427
H -2.800126 -1.542437 0.643052
H -2.543100 -0.514328 2.089153
H -4.422969 0.865325 3.116406
H -6.152369 0.477729 2.932579
H -5.491478 1.979372 2.194324
H 2.474864 -2.650266 -0.556803
H 0.741369 -3.081299 -0.366007
H 1.524595 -0.856935 2.670082
H 0.317069 0.470138 -2.645069
H 3.502203 0.100102 -1.072268
H 1.354514 2.107040 1.230674
H 0.501402 -3.177678 -2.881174
H 2.217973 -2.752809 -3.067196
H 3.726126 -0.849131 3.838970
H -0.031902 2.796486 -3.534461
H 5.724168 0.067269 0.089286
H 0.984759 4.421337 0.366501
H 5.841869 -0.400057 2.561143
H 0.295502 4.781402 -2.026321
H 2.883803 -4.901150 -1.854469
H 1.158609 -5.325170 -1.665818
H 1.888437 -5.255102 -3.294425


