%chk=000002058.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002058

0 1
 O   0.1858000      -1.842800       1.849000    
 O   -6.731000     -0.7652000     -0.4835000    
 O   -6.903000       2.005800     -0.3494000    
 N    1.063000      -1.904900     -0.2872000    
 N   -1.304600     -0.3538000      -2.444600    
 C    3.412500      -1.592200      0.4247000    
 C    3.808500     -0.6364000     -0.7086000    
 C    2.296800      -2.571600      6.5499999E-02
 C    4.935500      0.2996000     -0.3518000    
 C    4.644400       1.532600      0.2124000    
 C    6.245000     -8.7399997E-02 -0.5940000    
 C   9.0700001E-02  -1.589100      0.6491000    
 C    5.686800       2.398700      0.5421000    
 C    7.287500      0.7786000     -0.2643000    
 C    7.008500       2.021700      0.3037000    
 C   -1.118500     -0.8906000      8.0499999E-02
 C   -3.363300      9.4200000E-02  0.6070000    
 C   -2.101900     -0.5817000      0.9483000    
 C   -4.458400     -0.6632000      0.2203000    
 C   -3.435200       1.477100      0.6779000    
 C   -5.654200     -2.2299999E-02 -0.1033000    
 C   -4.631000       2.118000      0.3543000    
 C   -5.740600       1.368200     -3.6300000E-02
 C   -1.223100     -0.5934000      -1.311900    
 H    3.107900      -1.003400       1.299800    
 H    4.293000      -2.170000      0.7334000    
 H    4.090900      -1.219000      -1.595500    
 H    2.939200     -4.1900001E-02  -1.018300    
 H    2.111600      -3.245300      0.9092000    
 H    2.591300      -3.182900     -0.7941000    
 H   0.9371000      -1.667000      -1.265500    
 H    3.618500       1.834200      0.4038000    
 H    6.472500      -1.054100      -1.034100    
 H    5.469600       3.366300      0.9850000    
 H    8.316700      0.4850000     -0.4493000    
 H    7.820300       2.695900      0.5607000    
 H   -2.017300     -0.8184000       2.006600    
 H   -4.397600      -1.747600      0.1667000    
 H   -2.577900       2.072300      0.9813000    
 H   -4.684600       3.202000      0.4108000    
 H   -7.469800     -0.1600000     -0.6694000    
 H   -6.776200       2.964600     -0.2461000    


%chk=000002058-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002058

0 1
O 0.206414 -1.311025 2.190252
O -5.706960 0.937870 -2.253092
O -7.226446 1.882960 -0.241139
N 1.083569 -1.983797 0.140037
N -1.122641 -1.234773 -2.419159
C 3.465824 -1.416796 0.755859
C 3.934550 -0.959900 -0.652611
C 2.344397 -2.482590 0.718160
C 5.034374 0.089723 -0.578085
C 4.713876 1.468151 -0.471672
C 6.402257 -0.287064 -0.567096
C 0.101199 -1.417366 0.927560
C 5.729883 2.443291 -0.355619
C 7.422697 0.684126 -0.450934
C 7.089663 2.054331 -0.343812
C -1.137016 -0.925853 0.192335
C -3.433911 0.201853 0.607771
C -2.138206 -0.364994 0.960820
C -3.949073 0.288909 -0.722367
C -4.228058 0.700049 1.686023
C -5.209820 0.854338 -0.953497
C -5.495793 1.268229 1.457370
C -5.984198 1.344112 0.139184
C -1.172142 -1.075096 -1.230167
H 3.111831 -0.544701 1.336338
H 4.327893 -1.838635 1.309369
H 4.292912 -1.845635 -1.214700
H 3.065110 -0.552915 -1.205272
H 2.121373 -2.814376 1.747050
H 2.670428 -3.361215 0.129232
H 0.943954 -2.036009 -0.871813
H 3.661221 1.778406 -0.485013
H 6.668973 -1.348034 -0.656095
H 5.462744 3.503527 -0.278646
H 8.474098 0.374090 -0.448478
H 7.879242 2.809198 -0.256637
H -1.885015 -0.357119 2.032645
H -3.387154 -0.075230 -1.585350
H -3.840614 0.636800 2.708393
H -6.093849 1.645892 2.295370
H -6.604850 1.362626 -2.236428
H -7.747335 2.215241 0.528817


