%chk=000025853.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025853

0 1
 O   0.3449000      -1.161400      0.2864000    
 N    3.902100      -1.524600     -0.5684000    
 C  -0.7797000     -0.4774000     -0.2955000    
 C   -2.049200     -0.7114000      0.5958000    
 C   -1.009400      -1.105000      -1.697300    
 C   -3.322400     -0.2145000     -0.1130000    
 C   -2.310300     -0.6718000      -2.376800    
 C   -3.525500     -0.8619000      -1.478700    
 C   -2.218300      -2.171400       1.051800    
 C  -0.3436000      0.9964000     -0.2913000    
 C  -0.1075000       1.667000      0.9061000    
 C   -3.396900      -2.316000       1.990400    
 C  -0.1870000       1.655200      -1.508500    
 C    1.521400     -0.9621000     -0.4805000    
 C  -0.2705000      0.9784000       2.221400    
 C   0.2873000       3.004700      0.8864000    
 C    2.673900      -1.687500      0.1953000    
 C   0.2080000       2.992700      -1.528200    
 C   0.4451000       3.667500     -0.3306000    
 C   0.8860000       1.268200       3.173400    
 C    4.247700     -0.1069000     -0.6979000    
 C    5.003900      -2.258000      5.9599999E-02
 H   -2.065000     -0.1366000       1.512100    
 H   -1.021700      -2.199300      -1.596800    
 H  -0.2042000     -0.9101000      -2.411900    
 H   -4.219600     -0.3522000      0.4978000    
 H   -3.244100      0.8720000     -0.2553000    
 H   -2.272300      0.3748000      -2.691500    
 H   -2.447800      -1.256800      -3.294200    
 H   -3.737000      -1.930900      -1.363200    
 H   -4.406300     -0.4241000      -1.963000    
 H   -2.333900      -2.858300      0.2080000    
 H   -1.319700      -2.488100       1.594300    
 H   -3.366700      -3.302100       2.467100    
 H   -4.354000      -2.255600       1.464700    
 H   -3.381400      -1.566600       2.788100    
 H  -0.3184000       1.187200      -2.474500    
 H    1.773100      9.4099998E-02 -0.5440000    
 H    1.436100      -1.386400      -1.483600    
 H  -0.2605000     -0.1082000       2.186400    
 H   -1.198900       1.313200       2.699500    
 H   0.4570000       3.567100       1.799100    
 H    2.414000      -2.751300      0.2747000    
 H    2.782200      -1.326100       1.227300    
 H   0.3379000       3.507800      -2.475500    
 H   0.7490000       4.710000     -0.3463000    
 H   0.8971000       2.307100       3.516600    
 H   0.7947000      0.6440000       4.069600    
 H    1.853400       1.046600       2.708800    
 H    4.222400      0.4218000      0.2620000    
 H    5.259500      2.7000001E-03  -1.107900    
 H    3.602200      0.4076000      -1.416500    
 H    5.911900      -2.186500     -0.5494000    
 H    5.229800      -1.882800       1.064400    
 H    4.762200      -3.324100      0.1352000    


%chk=000025853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025853

0 1
O 0.309454 -1.100088 0.184259
N 3.991608 -1.621814 -0.226360
C -0.854273 -0.353897 -0.410256
C -2.085647 -0.705072 0.513805
C -1.091939 -0.945573 -1.836571
C -3.404983 -0.251686 -0.174790
C -2.478390 -0.680128 -2.484221
C -3.645179 -0.974072 -1.516827
C -2.105939 -2.200600 0.942185
C -0.555050 1.170042 -0.367635
C -0.177294 1.843600 0.845518
C -3.240507 -2.537288 1.935277
C -0.655840 1.946394 -1.554210
C 1.607553 -0.908914 -0.480248
C 0.089320 1.153497 2.189790
C -0.003181 3.253348 0.813373
C 2.626388 -1.712182 0.343965
C -0.457992 3.342604 -1.569528
C -0.147702 4.009970 -0.366527
C 1.516598 1.422164 2.737791
C 4.642140 -0.320262 0.030026
C 4.850500 -2.750716 0.185494
H -1.989925 -0.111584 1.442321
H -0.965062 -2.039517 -1.723089
H -0.295208 -0.613994 -2.529389
H -4.252329 -0.421558 0.515002
H -3.362277 0.841362 -0.356019
H -2.560930 0.373161 -2.813781
H -2.564249 -1.302101 -3.396980
H -3.737382 -2.065315 -1.349881
H -4.600451 -0.640130 -1.966041
H -2.188173 -2.860203 0.056809
H -1.131029 -2.435053 1.403331
H -3.137645 -3.573805 2.306827
H -4.241598 -2.449243 1.474636
H -3.215029 -1.863052 2.813342
H -0.892933 1.452781 -2.499132
H 1.863246 0.169528 -0.515341
H 1.593554 -1.300704 -1.515958
H -0.032207 0.065819 2.095851
H -0.649332 1.515367 2.934720
H 0.258803 3.767610 1.746397
H 2.311227 -2.771581 0.331820
H 2.585983 -1.372285 1.409707
H -0.551081 3.898853 -2.509054
H -0.009684 5.096916 -0.347918
H 1.705453 2.497980 2.903751
H 1.660412 0.902139 3.703036
H 2.283021 1.051553 2.033126
H 4.801040 -0.119226 1.121517
H 5.627228 -0.295903 -0.469270
H 4.036759 0.504071 -0.383590
H 5.822870 -2.685540 -0.335791
H 5.053767 -2.780125 1.286803
H 4.374516 -3.705449 -0.100074


