%chk=000028753.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028753

0 1
 O    1.846700      -3.430300      5.1600002E-02
 O    4.489000      0.7255000      -2.275100    
 O    3.770700       1.075100       2.447400    
 O    5.036200       1.955100      0.1457000    
 N   -2.763600      -1.536000      8.1000000E-02
 N   3.3900000E-02  -2.002100     -0.3205000    
 C   -1.787500     -0.4694000      0.3468000    
 C   -2.177500      -2.852600      0.3717000    
 C  -0.5236000     -0.6563000     -0.4955000    
 C  -0.9313000      -3.087400     -0.4804000    
 C   -3.978000      -1.329000      0.8690000    
 C    1.379400      -2.301800     -9.5200002E-02
 C   -4.638100     -1.4600000E-02  0.5474000    
 C    2.336900      -1.189500     -3.2200001E-02
 C   -4.784800      0.3703000     -0.7777000    
 C   -5.090700      0.7930000       1.581100    
 C   -5.396700       1.588100      -1.075200    
 C    2.606300     -0.5768000       1.188800    
 C    2.968200     -0.7525000      -1.193500    
 C   -5.702600       2.010800       1.283800    
 C   -5.855500       2.408200     -4.4399999E-02
 C    3.875900      0.3051000      -1.133500    
 C    3.513900      0.4808000       1.248700    
 C    4.148600      0.9217000      8.7600000E-02
 C   -5.560300       2.013500      -2.495000    
 C    3.835200       1.749000      -3.022800    
 C    2.946500       2.180300       2.812400    
 C    6.402800       1.621700      0.3779000    
 H   -2.176800      0.5252000      0.1069000    
 H   -1.511700     -0.4611000       1.410400    
 H   -1.915500      -2.933600       1.435100    
 H   -2.902900      -3.644100      0.1487000    
 H  -0.7551000     -0.5429000      -1.561800    
 H   0.2019000      0.1181000     -0.2370000    
 H   -1.195800      -3.129900      -1.544200    
 H  -0.4787000      -4.049400     -0.2186000    
 H   -3.753300      -1.390800       1.942400    
 H   -4.706700      -2.120500      0.6499000    
 H   -4.441700     -0.2677000      -1.588200    
 H   -4.978300      0.4945000       2.619500    
 H    2.112300     -0.9183000       2.095300    
 H    2.757300      -1.231400      -2.146700    
 H   -6.059600       2.649500       2.086400    
 H   -6.332300       3.360100     -0.2626000    
 H   -6.407600       2.698000      -2.610800    
 H   -5.754200       1.151800      -3.142900    
 H   -4.653800       2.519000      -2.842400    
 H    4.448600       1.978700      -3.898300    
 H    2.852800       1.406700      -3.363300    
 H    3.729100       2.657600      -2.421600    
 H    3.042900       2.990500       2.082800    
 H    1.900200       1.868500       2.891800    
 H    3.277200       2.547000       3.788000    
 H    6.982700       2.548500      0.3972000    
 H    6.518000       1.117300       1.342400    
 H    6.786600      0.9861000     -0.4264000    


%chk=000028753-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028753

0 1
O 1.645255 -3.194139 -1.121315
O 5.493833 0.151330 -1.906632
O 3.014658 1.523181 2.161785
O 5.342227 1.801686 0.456422
N -2.847273 -1.429950 0.194973
N -0.132508 -1.754865 -0.690549
C -1.860192 -0.339480 0.382069
C -2.189478 -2.759979 0.234062
C -0.771833 -0.420971 -0.704561
C -1.104009 -2.858275 -0.853308
C -3.998420 -1.330992 1.124140
C 1.229377 -2.032243 -0.800481
C -4.895204 -0.128751 0.839959
C 2.223977 -0.936338 -0.501163
C -5.230309 0.215971 -0.492890
C -5.443836 0.626779 1.903926
C -6.099864 1.295972 -0.783126
C 2.120831 -0.102635 0.638281
C 3.353001 -0.827682 -1.347179
C -6.319859 1.702594 1.632743
C -6.647233 2.033878 0.299507
C 4.362221 0.110062 -1.060652
C 3.144723 0.821323 0.950033
C 4.290135 0.920186 0.110204
C -6.423733 1.670284 -2.220257
C 5.731688 1.449695 -2.578480
C 3.195232 2.991687 2.118933
C 6.584814 1.104437 0.880033
H -2.385286 0.629196 0.306118
H -1.378696 -0.392063 1.393012
H -1.720528 -2.963266 1.230370
H -2.954619 -3.538180 0.053705
H -1.252552 -0.268088 -1.693659
H -0.016528 0.364863 -0.562321
H -1.578734 -2.790413 -1.853436
H -0.552526 -3.809821 -0.792010
H -3.672737 -1.300460 2.195168
H -4.588895 -2.261748 1.002210
H -4.787135 -0.371440 -1.306453
H -5.188423 0.373917 2.940660
H 1.281220 -0.185680 1.335270
H 3.460602 -1.483558 -2.215176
H -6.745962 2.282258 2.459673
H -7.328741 2.868948 0.095022
H -7.414374 2.151908 -2.299898
H -6.419232 0.785060 -2.880362
H -5.678542 2.383688 -2.623589
H 6.652829 1.308808 -3.164074
H 4.888915 1.685693 -3.255751
H 5.861458 2.260248 -1.839427
H 4.197633 3.254631 1.744189
H 2.416630 3.451317 1.479498
H 3.066091 3.323458 3.160347
H 7.307178 1.903799 1.105347
H 6.388309 0.501687 1.785360
H 6.960026 0.459773 0.065630


