%chk=000049202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049202

0 1
 O   0.2598000     -0.7434000       1.760800    
 O   -1.653000       1.230000      -2.046700    
 O   0.7398000       3.747900      0.9516000    
 N   0.5819000       1.481300       1.302800    
 N  -0.3742000       2.467100     -0.5988000    
 C  -0.2482000      1.9500000E-02 -0.4842000    
 C   -1.251000      -1.139400     -0.5811000    
 C    1.011400     -0.3285000      -1.297600    
 C   -2.499300     -0.8499000      0.2417000    
 C   0.1909000      0.1940000      0.9662000    
 C  -0.8535000       1.271100      -1.112000    
 C   -3.507300      -1.992200      0.1186000    
 C    1.698600      -1.524300     -0.7212000    
 C   0.3578000       2.640400      0.5697000    
 C   -4.774800      -1.704200      0.9073000    
 C    2.939200      -1.587700     -0.2014000    
 C    3.577200      -2.824400      0.3652000    
 C    3.804800     -0.3574000     -0.1409000    
 H  -0.8345000      -2.080800     -0.2070000    
 H   -1.534100      -1.318300      -1.626700    
 H   0.7313000     -0.5664000      -2.333200    
 H    1.671200      0.5401000      -1.383100    
 H   -2.256600     -0.7158000       1.301300    
 H   -2.981300      7.6099999E-02 -9.0999998E-02
 H   -3.061500      -2.925000      0.4831000    
 H   -3.769900      -2.147100     -0.9345000    
 H    1.154500      -2.464900     -0.7746000    
 H    1.007800       1.601800       2.217500    
 H  -0.6535000       3.314400      -1.085500    
 H   -5.265200     -0.7953000      0.5445000    
 H   -4.553800      -1.574500       1.971600    
 H   -5.480900      -2.534400      0.8060000    
 H    4.504500      -3.053700     -0.1696000    
 H    3.808100      -2.684800       1.426100    
 H    2.917400      -3.694100      0.2788000    
 H    3.244100      0.5766000     -6.2300000E-02
 H    4.456500     -0.3111000      -1.019100    
 H    4.444000     -0.3895000      0.7492000    


%chk=000049202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049202

0 1
O 0.478033 -0.530233 1.816283
O -1.548110 1.198912 -2.206955
O 0.538945 4.011566 0.850457
N 0.600411 1.705333 1.241331
N -0.464338 2.558838 -0.684383
C -0.223744 0.069671 -0.468146
C -1.226872 -1.114916 -0.463342
C 1.066108 -0.293007 -1.363327
C -2.550329 -0.832000 0.282273
C 0.277827 0.358054 0.950587
C -0.830309 1.289776 -1.177572
C -3.497214 -2.053531 0.253368
C 1.786056 -1.554039 -0.953303
C 0.253702 2.841555 0.491708
C -4.831616 -1.792171 0.983963
C 2.968908 -1.644411 -0.276690
C 3.570038 -3.001777 0.044179
C 3.774617 -0.461548 0.227459
H -0.720552 -1.975742 0.008273
H -1.445791 -1.375593 -1.516042
H 0.670464 -0.403810 -2.391411
H 1.747944 0.577181 -1.366771
H -2.337561 -0.566486 1.337680
H -3.067116 0.032905 -0.179593
H -2.984214 -2.922412 0.713540
H -3.699580 -2.330263 -0.801375
H 1.295622 -2.492357 -1.246680
H 1.040968 1.890375 2.148495
H -0.781976 3.374995 -1.217501
H -5.375700 -0.946319 0.523047
H -4.658863 -1.541117 2.047478
H -5.492182 -2.677819 0.949068
H 4.588854 -3.098106 -0.380622
H 3.668577 -3.135900 1.139630
H 2.953349 -3.828651 -0.347223
H 3.352231 0.515949 -0.057494
H 4.814264 -0.507734 -0.151736
H 3.837351 -0.491969 1.332847


