%chk=000048588.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048588

0 1
 O  -0.1090000     -0.3919000      -2.067400    
 O  -0.8688000      -2.003300       2.277300    
 O    1.024400      -4.689300     -0.9254000    
 N   0.5472000      -2.506500      -1.466900    
 N   0.1670000      -3.311500      0.7032000    
 C  -5.0000002E-04 -0.8970000      0.3019000    
 C   -3.533500      0.7130000      0.4327000    
 C    3.100300       1.434700      0.3844000    
 C   -1.072500      0.1818000      0.5145000    
 C    1.367700     -0.3485000      0.7447000    
 C   -2.464600     -0.3524000      0.1961000    
 C    1.745500      0.8865000     -6.0100000E-02
 C   -4.932500      0.1490000      0.1503000    
 C   -3.260900       1.954400     -0.4273000    
 C    3.455100       2.704500     -0.4009000    
 C    4.194300      0.3702000      0.2255000    
 C   -6.015000       1.211300      0.3284000    
 C   -4.346200       3.013600     -0.2481000    
 C    4.830500       3.242100     -1.2000000E-02
 C    5.568300      0.9118000      0.6135000    
 C   -5.736000       2.447200     -0.5212000    
 C    5.913800       2.178700     -0.1628000    
 C   0.1083000      -1.221500      -1.184600    
 C  -0.3067000      -2.101200       1.186800    
 C   0.6240000      -3.575600     -0.5825000    
 H   -3.497500       1.012300       1.489400    
 H    3.034900       1.703300       1.448100    
 H   -1.048900      0.5528000       1.547300    
 H  -0.8716000       1.029900     -0.1408000    
 H    1.355200     -0.1095000       1.816300    
 H    2.107500      -1.144600      0.6123000    
 H   -2.710700      -1.221000      0.8155000    
 H   -2.516100     -0.6918000     -0.8456000    
 H    1.018100       1.692000      7.4500002E-02
 H    1.810000      0.6718000      -1.130700    
 H   -5.139800     -0.6928000      0.8217000    
 H   -4.978100     -0.2427000     -0.8740000    
 H   -2.316000       2.433800     -0.1554000    
 H   -3.194200       1.674900      -1.486400    
 H    2.701200       3.480000     -0.2206000    
 H    3.443200       2.494100      -1.478000    
 H    4.223700      8.6000003E-03 -0.8101000    
 H    4.010500     -0.4954000      0.8683000    
 H   -6.072200       1.499900       1.385200    
 H   -6.990800      0.7915000      5.9000000E-02
 H   -4.153700       3.856600     -0.9214000    
 H   -4.307500       3.406900      0.7753000    
 H    4.804600       3.592100       1.027400    
 H    5.076400       4.109500     -0.6348000    
 H    6.331700      0.1475000      0.4289000    
 H    5.585700       1.127200       1.689100    
 H   -6.493000       3.213000     -0.3184000    
 H   -5.821300       2.186500      -1.583300    
 H    6.872700       2.576400      0.1879000    
 H    6.038400       1.933000      -1.224600    
 H   0.7606000      -2.710000      -2.439400    
 H   0.1002000      -4.108400       1.330100    


%chk=000048588-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048588

0 1
O 0.130794 -0.560520 -2.080057
O -0.720713 -1.706317 2.547645
O 0.649517 -4.905307 -0.530120
N 0.466712 -2.686118 -1.246363
N 0.001837 -3.256283 0.996556
C -0.000713 -0.818895 0.367729
C -3.662995 0.746315 0.299134
C 3.367671 1.378566 0.440501
C -1.115632 0.263377 0.434003
C 1.403819 -0.234833 0.837409
C -2.516326 -0.266894 0.051779
C 1.894794 1.027904 0.094841
C -5.036403 0.081277 0.017180
C -3.515168 2.041352 -0.543782
C 3.701985 2.832247 0.011322
C 4.378971 0.395116 -0.208269
C -6.219310 1.051449 0.242652
C -4.696903 3.015908 -0.320495
C 5.165096 3.213682 0.338829
C 5.843995 0.764821 0.125369
C -6.056607 2.336065 -0.604613
C 6.164813 2.218369 -0.296540
C 0.173361 -1.316015 -1.074657
C -0.299450 -1.935616 1.384925
C 0.398374 -3.701148 -0.276680
H -3.640439 1.035134 1.374116
H 3.493098 1.318200 1.545633
H -1.135541 0.657649 1.467616
H -0.827889 1.083084 -0.244674
H 1.297220 -0.010497 1.916636
H 2.160619 -1.039625 0.748368
H -2.738098 -1.180889 0.641021
H -2.521741 -0.558671 -1.018925
H 1.251427 1.885714 0.371913
H 1.796989 0.899641 -1.000362
H -5.153136 -0.816715 0.656728
H -5.051283 -0.272432 -1.036085
H -2.563785 2.554121 -0.302665
H -3.464260 1.763224 -1.618208
H 3.005494 3.537720 0.507218
H 3.532165 2.931658 -1.081918
H 4.237901 0.421072 -1.309942
H 4.177337 -0.645463 0.114234
H -6.266926 1.326885 1.316879
H -7.175388 0.548209 -0.000955
H -4.574514 3.911081 -0.961085
H -4.682639 3.370944 0.731287
H 5.303138 3.213825 1.440256
H 5.375284 4.243571 -0.009732
H 6.536143 0.058675 -0.373211
H 6.008905 0.657647 1.217806
H -6.887806 3.039211 -0.401932
H -6.113287 2.070833 -1.680947
H 7.201955 2.481468 -0.011312
H 6.105162 2.297745 -1.401981
H 0.683288 -2.997447 -2.199103
H -0.107510 -3.986574 1.707929


