%chk=000005502.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005502

0 1
 O   -4.300700      -2.455400      0.7750000    
 O   -2.059000      -3.547800     -0.4471000    
 O    4.922400      0.5192000      -1.146500    
 O    5.136400      -1.195600       1.029900    
 N   -1.052800       2.607700      -1.499100    
 N   9.7599998E-02   2.020600     -0.9970000    
 C   -2.334400       2.030600      0.5822000    
 C   -2.220800      0.5405000      0.3722000    
 C   -1.472100       2.599500       1.704000    
 C   -1.086200     -2.6200000E-02 -0.2271000    
 C   -2.114800       2.704400     -0.7618000    
 C   -3.294400     -0.2984000      0.7080000    
 C   0.1031000      0.8219000     -0.4953000    
 C   -1.038900      -1.398400     -0.5074000    
 C   -1.678700       4.094700       1.859200    
 C   -3.241000      -1.667000      0.4406000    
 C   -2.117900      -2.214600     -0.1735000    
 C   -3.280300       3.478600      -1.334200    
 C    1.440200      0.2894000     -9.2699997E-02
 C    2.568400      0.6568000     -0.8136000    
 C    1.535900     -0.5670000      0.9958000    
 C    3.816100      0.1584000     -0.4385000    
 C    2.783400      -1.065400       1.370700    
 C    3.923500     -0.7026000      0.6537000    
 C   -5.323600      -2.616300     -0.2057000    
 C  -0.8733000      -4.028400      -1.077500    
 C    5.281800     -0.3060000      -2.252900    
 C    5.880100     -0.4332000       1.978500    
 H   -3.378000       2.243300      0.8569000    
 H  -0.4051000       2.411400       1.555400    
 H   -1.736000       2.104700       2.647400    
 H   -4.186700      0.1180000       1.170800    
 H  -0.1485000      -1.775300     -0.9984000    
 H   -1.324800       4.646300      0.9828000    
 H   -2.734500       4.336100       2.019300    
 H   -1.118100       4.461200       2.725500    
 H   -3.621900       4.219300     -0.6065000    
 H   -4.097400       2.786300      -1.555000    
 H   -2.989300       3.993200      -2.254100    
 H    2.500000       1.319400      -1.672500    
 H   0.6775000     -0.8418000       1.601300    
 H    2.861100      -1.729900       2.227000    
 H   -5.782800      -1.651300     -0.4426000    
 H   -6.091300      -3.277400      0.2053000    
 H   -4.918400      -3.073000      -1.114300    
 H  -0.9988000      -5.107100      -1.218400    
 H   7.1000000E-03  -3.892700     -0.4399000    
 H  -0.7401000      -3.592400      -2.073500    
 H    6.185100      0.1075000      -2.709600    
 H    4.482900     -0.3132000      -3.001200    
 H    5.493900      -1.326800      -1.919600    
 H    5.328600     -0.3498000       2.920200    
 H    6.102200      0.5632000       1.583200    
 H    6.823600     -0.9513000       2.170300    


%chk=000005502-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005502

0 1
O -4.755170 -2.129417 0.526136
O -2.422551 -3.485974 -0.478031
O 4.949974 0.676179 -1.145495
O 5.234998 -1.298539 0.998521
N -0.988371 2.755462 -1.342867
N 0.122255 2.107345 -0.824841
C -2.412474 2.196297 0.654798
C -2.361682 0.696862 0.359592
C -1.507610 2.689747 1.824274
C -1.176038 0.072931 -0.145891
C -2.136151 2.867965 -0.704973
C -3.523856 -0.091079 0.524420
C 0.072317 0.848150 -0.365278
C -1.204655 -1.321024 -0.436556
C -1.706703 4.192646 2.117395
C -3.556430 -1.469180 0.231788
C -2.361506 -2.099626 -0.248072
C -3.251302 3.624161 -1.385383
C 1.401276 0.251083 -0.045827
C 2.559329 0.696834 -0.737825
C 1.554870 -0.728629 0.975527
C 3.832476 0.192260 -0.420425
C 2.832575 -1.219279 1.312241
C 3.981976 -0.756795 0.635345
C -5.279766 -3.138214 -0.419382
C -1.196264 -4.149093 -0.933365
C 5.627512 -0.348199 -1.972981
C 6.228055 -0.308209 1.482760
H -3.451936 2.449364 0.939224
H -0.443034 2.497914 1.611003
H -1.769746 2.094637 2.720829
H -4.449132 0.357924 0.900840
H -0.291772 -1.783840 -0.821331
H -1.413297 4.810865 1.249088
H -2.762448 4.420474 2.360680
H -1.087392 4.509341 2.975895
H -3.561288 4.498880 -0.780569
H -4.144290 2.979254 -1.499952
H -2.928359 3.972418 -2.378812
H 2.459888 1.442677 -1.531299
H 0.679478 -1.074218 1.534325
H 2.968074 -1.947608 2.118309
H -5.396011 -2.696771 -1.427614
H -6.266255 -3.408411 -0.013026
H -4.619100 -4.016884 -0.470209
H -1.462375 -5.212715 -1.021099
H -0.378746 -4.027116 -0.197255
H -0.871149 -3.762197 -1.918267
H 6.475945 0.170151 -2.445233
H 4.936954 -0.724558 -2.751589
H 5.985088 -1.189220 -1.350796
H 5.876223 0.143463 2.429420
H 6.398356 0.482571 0.730916
H 7.149538 -0.883160 1.660618


