%chk=000040992.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040992

1 1
 O  -0.5808000      -1.619800      0.8137000    
 O  -0.2736000      -2.033300      -1.435300    
 N   -3.639900      0.3398000      7.9000004E-02
 C    2.393900     -0.8595000      7.0100002E-02
 C    3.218900       1.004800      -1.436300    
 C    4.672600      0.1831000      0.4511000    
 C    2.588800       1.509200      0.9511000    
 C    2.404600     -0.2993000      -1.372000    
 C    3.854300      -1.118500      0.5103000    
 C    1.776200      0.2039000       1.008800    
 C    4.662600      0.7224000     -0.9890000    
 C    2.589100       2.041800     -0.4914000    
 C    4.035800       1.224300       1.386500    
 C    1.582900      -2.156600      0.1302000    
 C   0.1538000      -1.939300     -0.2930000    
 C   -1.972400      -1.379400      0.5812000    
 C   -2.190400      9.0700001E-02  0.2818000    
 C   -4.441100     -6.4999998E-02   1.323700    
 C   -3.903800       1.826400     -0.1963000    
 C   -4.169700     -0.4680000      -1.113600    
 C   -3.938200      0.7183000       2.516600    
 C   -3.186300       2.233200      -1.464800    
 C   -5.637400     -0.1591000      -1.312100    
 H    3.218700       1.390800      -2.461800    
 H    5.703700     -1.4100000E-02  0.7649000    
 H    2.141500       2.253300       1.619700    
 H    2.832000      -1.036400      -2.063900    
 H    1.389000     -8.4399998E-02  -1.724500    
 H    3.876800      -1.521500       1.531000    
 H    4.317100      -1.874500     -0.1372000    
 H   0.7494000      0.4473000      0.7185000    
 H    1.742500     -0.1678000       2.040700    
 H    5.128900     -4.9999999E-03  -1.664800    
 H    5.259500       1.640700      -1.049000    
 H    3.149400       2.983500     -0.5425000    
 H    1.563100       2.264500     -0.8093000    
 H    4.050700      0.8580000       2.420300    
 H    4.621600       2.151500       1.368700    
 H    2.010000      -2.920500     -0.5316000    
 H    1.598200      -2.593700       1.136600    
 H   -2.323000      -2.064700     -0.1938000    
 H   -2.448500      -1.686300       1.514800    
 H   -1.777200      0.7516000       1.050200    
 H   -1.651500      0.3189000     -0.6430000    
 H   -5.485700      0.2245000       1.183100    
 H   -4.406800      -1.148300       1.465200    
 H   -4.975200       2.040500     -0.2048000    
 H   -3.456700       2.405300      0.6174000    
 H   -3.557000     -0.2799000      -1.999100    
 H   -4.099400      -1.532400     -0.8740000    
 H   -4.524400      0.4127000       3.392700    
 H   -4.083900       1.797700       2.438900    
 H   -2.898800      0.5088000       2.778900    
 H   -3.360400       3.305600      -1.620800    
 H   -2.100500       2.124800      -1.421100    
 H   -3.565200       1.748500      -2.367100    
 H   -6.285100     -0.4607000     -0.4869000    
 H   -5.852700      0.8727000      -1.596300    
 H   -5.984600     -0.7577000      -2.165100    


%chk=000040992-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040992

1 1
O -0.672956 -1.624781 1.481773
O -0.568179 -1.705221 -0.841805
N -3.756308 0.291924 0.265625
C 2.388738 -0.718221 0.083901
C 3.315386 0.683894 -1.833144
C 4.772986 0.190774 0.179493
C 2.808962 1.779404 0.399309
C 2.396015 -0.511300 -1.459022
C 3.849501 -0.999142 0.554484
C 1.888137 0.585807 0.772851
C 4.763902 0.389234 -1.360067
C 2.798112 1.974758 -1.141307
C 4.257112 1.479958 0.873801
C 1.513158 -1.953655 0.498931
C 0.041329 -1.767514 0.252305
C -2.132138 -1.452836 1.322807
C -2.405947 0.027245 0.966773
C -4.922762 -0.379668 1.039229
C -3.997243 1.825706 0.223305
C -3.689658 -0.299483 -1.176362
C -5.073503 0.043526 2.506220
C -2.978627 2.627669 -0.595293
C -4.898182 -0.000207 -2.069623
H 3.302128 0.819567 -2.931889
H 5.802184 -0.029908 0.521821
H 2.438410 2.697489 0.896941
H 2.760037 -1.434457 -1.954008
H 1.368108 -0.334171 -1.830579
H 3.866879 -1.158817 1.652024
H 4.220822 -1.930601 0.080792
H 0.847723 0.810628 0.447532
H 1.864678 0.447605 1.873055
H 5.152121 -0.517916 -1.864349
H 5.433156 1.226728 -1.637943
H 3.439091 2.834799 -1.416668
H 1.771257 2.209272 -1.491853
H 4.280598 1.356714 1.975099
H 4.917990 2.333719 0.627819
H 1.848507 -2.827876 -0.091137
H 1.667933 -2.170643 1.569673
H -2.485766 -2.141599 0.535948
H -2.552532 -1.737989 2.298524
H -2.375212 0.656819 1.870406
H -1.627494 0.372320 0.271337
H -5.840142 -0.140155 0.477655
H -4.753538 -1.466824 0.960085
H -5.017098 1.964239 -0.172695
H -3.992381 2.160432 1.273239
H -2.759516 0.087309 -1.620833
H -3.557403 -1.386328 -1.056946
H -5.885600 -0.562298 2.945594
H -5.366435 1.099299 2.624260
H -4.170452 -0.146081 3.110016
H -3.265645 3.692287 -0.532759
H -1.951309 2.551520 -0.201996
H -2.973365 2.358084 -1.664075
H -5.841423 -0.430431 -1.694282
H -5.044885 1.075924 -2.259971
H -4.703863 -0.473132 -3.048720


