%chk=000052088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052088

0 1
 O    2.583900       1.231700     -0.5341000    
 O    1.199500     -0.4062000      -2.130100    
 N   -3.870300     -0.6049000      5.9500001E-02
 N   7.5700000E-02  -2.046600     -0.9356000    
 C   -3.422100      0.7405000      0.4176000    
 C   -4.718900      -1.031000       1.172000    
 C   -4.682900       1.381300      0.9785000    
 C   -5.533600      0.2173000       1.477400    
 C   -2.760200      -1.516700     -0.1735000    
 C   -2.186800      -1.304400      -1.575600    
 C   -1.005400      -2.225800      -1.865500    
 C    1.105500      -1.137300      -1.147800    
 C    2.162200      -1.090500     -0.1045000    
 C    2.856700      9.0200000E-02  0.1589000    
 C    1.795900       3.491800     -0.3816000    
 C    2.790000       2.467400      0.1468000    
 C   0.3539000       3.052300     -0.1440000    
 C    2.457400      -2.248600      0.6149000    
 C    3.846200      0.1128000       1.141900    
 C  -0.6351000       4.097700     -0.6342000    
 C    3.447100      -2.225900       1.597800    
 C    4.141500      -1.045200       1.861200    
 H   -3.045200       1.303600     -0.4416000    
 H   -2.643800      0.7227000       1.191500    
 H   -4.123500      -1.310100       2.050900    
 H   -5.361700      -1.874900      0.9029000    
 H   -4.451200       2.088000       1.781800    
 H   -5.223800       1.926800      0.1963000    
 H   -6.489500      0.1999000      0.9407000    
 H   -5.750500      0.3030000       2.547000    
 H   -3.120500      -2.552700     -0.1219000    
 H   -1.990900      -1.414400      0.6015000    
 H   -2.966200      -1.479700      -2.327400    
 H   -1.854300     -0.2658000      -1.694600    
 H  -0.6401000      -2.046600      -2.882700    
 H   -1.317100      -3.273900      -1.802500    
 H   3.5700001E-02  -2.585500     -7.6800004E-02
 H    1.951900       3.624900      -1.459200    
 H    1.980000       4.458300      0.1015000    
 H    2.632500       2.376700       1.229500    
 H    3.811600       2.814700     -4.4000000E-02
 H   0.1883000       2.877700      0.9256000    
 H   0.1499000       2.107500     -0.6606000    
 H    1.961900      -3.195100      0.4193000    
 H    4.434900      0.9993000       1.358100    
 H  -0.5210000       4.272300      -1.708800    
 H   -1.661300       3.763300     -0.4515000    
 H  -0.4907000       5.049700     -0.1134000    
 H    3.683500      -3.129500       2.152100    
 H    4.918200      -1.030600       2.620200    


%chk=000052088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052088

0 1
O 2.018153 1.014146 -0.036590
O 1.265311 -0.856400 -2.313363
N -3.854116 -0.491697 0.029689
N 0.205271 -2.269522 -0.796231
C -3.478689 0.945432 -0.047676
C -4.623061 -0.614642 1.295302
C -4.738236 1.697475 0.467462
C -5.548175 0.625162 1.273836
C -2.733102 -1.444794 -0.088544
C -2.074594 -1.417637 -1.482106
C -0.972197 -2.488428 -1.657348
C 1.249515 -1.439940 -1.187834
C 2.373353 -1.346033 -0.178235
C 2.788290 -0.084871 0.343973
C 1.424861 3.351294 -0.171382
C 2.420233 2.356618 0.430763
C -0.026697 3.137391 0.312075
C 3.073709 -2.511123 0.211290
C 3.898627 -0.010053 1.222220
C -1.012622 4.147843 -0.311158
C 4.181502 -2.443413 1.088221
C 4.590120 -1.187719 1.585874
H -3.203923 1.228554 -1.078049
H -2.598365 1.166883 0.611519
H -3.950174 -0.578453 2.192671
H -5.175504 -1.571193 1.324038
H -4.452372 2.560215 1.094855
H -5.338906 2.082756 -0.373825
H -6.489288 0.385341 0.750265
H -5.803078 0.963229 2.293445
H -3.136061 -2.461174 0.099479
H -1.951858 -1.249208 0.696265
H -2.859823 -1.585396 -2.244486
H -1.625606 -0.428469 -1.686113
H -0.613895 -2.467469 -2.701397
H -1.375080 -3.498072 -1.447187
H 0.206457 -2.632290 0.158282
H 1.466143 3.267699 -1.274324
H 1.763200 4.374996 0.091255
H 2.392674 2.384915 1.541236
H 3.454767 2.566857 0.090179
H -0.060509 3.216147 1.418726
H -0.334226 2.106267 0.057214
H 2.763523 -3.477195 -0.203749
H 4.223781 0.951941 1.627993
H -1.006377 4.075018 -1.414983
H -2.047352 3.962335 0.032140
H -0.747947 5.188130 -0.041360
H 4.719875 -3.354576 1.367784
H 5.449769 -1.117376 2.261788


