%chk=000056540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056540

0 1
 O  -0.1257000      0.8648000     -0.5660000    
 O    3.401900       1.376500     -0.7779000    
 O    1.236800       2.048800      -1.991200    
 N   -4.541100     -0.7764000      0.6440000    
 C   -2.849100       1.016500      0.6360000    
 C   -4.274000      0.6102000       1.041200    
 C   -2.486300      0.5926000     -0.7646000    
 C   -4.470800     -0.9212000     -0.8193000    
 C   -3.251500     -0.2881000      -1.430600    
 C   -1.251400       1.199300      -1.357000    
 C    2.236300      0.8896000     -8.5400000E-02
 C   -5.837900      -1.226600       1.145600    
 C    2.308900     -0.6396000     -2.9899999E-02
 C    1.084500       1.355700     -0.9909000    
 C    2.227000       1.572400       1.286400    
 C    1.752100      -1.285300       1.049100    
 C    2.928000      -1.306000      -1.061300    
 C    3.422900       1.314400       2.174700    
 C    1.237500       2.362700       1.739300    
 C    1.818400      -2.677600       1.099500    
 C    2.994200      -2.698400      -1.011000    
 C    2.439200      -3.384200      6.9499999E-02
 H   -2.130500      0.5685000       1.334100    
 H   -2.759800       2.105300      0.7304000    
 H   -4.364700      0.7221000       2.128600    
 H   -5.002100       1.293800      0.5837000    
 H   -5.355500     -0.4879000      -1.304000    
 H   -4.453800      -1.990500      -1.062200    
 H   -3.002200     -0.5728000      -2.448700    
 H   -1.367200       2.289400      -1.392200    
 H   -1.092200      0.8398000      -2.381100    
 H   -6.013900      -2.272800      0.8716000    
 H   -6.665600     -0.6232000      0.7556000    
 H   -5.863500      -1.179700       2.240000    
 H    1.237800     -0.7681000       1.851900    
 H    3.353600     -0.7944000      -1.918500    
 H    3.527000      0.2563000       2.427300    
 H    3.357000       1.864000       3.120500    
 H    4.342600       1.641700       1.678800    
 H    3.403100       2.348400     -0.7309000    
 H   0.3539000       2.604900       1.163200    
 H    1.291900       2.812200       2.726500    
 H    1.380500      -3.212400       1.937400    
 H    3.474200      -3.249000      -1.814700    
 H    2.488600      -4.468500      0.1076000    


%chk=000056540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056540

0 1
O -0.118624 0.558260 -0.662026
O 3.381431 1.632693 -0.596277
O 1.086524 2.196947 -1.791487
N -4.741279 -0.431310 0.845976
C -2.875568 1.165825 0.522769
C -4.360488 0.997449 0.903243
C -2.554765 0.427425 -0.766183
C -4.633436 -0.990781 -0.516935
C -3.375485 -0.552234 -1.230982
C -1.331670 0.840818 -1.533210
C 2.229345 0.918814 -0.023440
C -6.047085 -0.718829 1.462967
C 2.506219 -0.598592 -0.101797
C 1.009738 1.294137 -0.916624
C 2.058354 1.399303 1.439116
C 1.703226 -1.513016 0.624241
C 3.562824 -1.084713 -0.906302
C 3.306395 1.226162 2.282805
C 0.922193 1.962533 1.923955
C 1.954033 -2.899612 0.541110
C 3.811601 -2.474111 -0.988823
C 3.008828 -3.386363 -0.267250
H -2.237716 0.774774 1.338818
H -2.637573 2.244146 0.415149
H -4.531113 1.359351 1.933768
H -4.992316 1.624798 0.220808
H -5.518660 -0.714685 -1.155704
H -4.644879 -2.097572 -0.444979
H -3.143042 -1.072183 -2.170448
H -1.309860 1.920868 -1.771334
H -1.195823 0.259448 -2.461347
H -6.227153 -1.809473 1.462226
H -6.906901 -0.229538 0.937035
H -6.046975 -0.375874 2.512780
H 0.882244 -1.139077 1.245021
H 4.185944 -0.364370 -1.442985
H 3.550961 0.154919 2.411870
H 3.177483 1.678965 3.280216
H 4.169522 1.695679 1.778764
H 3.009091 2.353658 -1.179214
H 0.013414 2.081453 1.326452
H 0.875028 2.315301 2.960592
H 1.327203 -3.599395 1.105413
H 4.634432 -2.841635 -1.612676
H 3.203479 -4.463163 -0.329971


