%chk=000046490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046490

0 1
 O  -0.6232000     -0.4097000      -1.998700    
 O    2.814300      0.9699000      0.6993000    
 O   -3.227800       2.576000      0.3922000    
 O    4.006800      -1.459700      8.0000004E-03
 O   0.4597000      0.7530000       2.370500    
 O    3.331400       2.674700     -0.7588000    
 N  -9.5399998E-02  2.3100000E-02  0.2244000    
 N   -1.440000       1.565000       1.400500    
 N    3.753100       2.855100       1.494300    
 C   -2.376300      0.5283000     -0.6145000    
 C   -2.926300       1.072300      -1.956600    
 C  -0.9509000      2.0800000E-02 -0.8901000    
 C   -3.307000     -0.6057000     -0.1267000    
 C   -2.398000       1.667100      0.4078000    
 C    1.168800     -0.6946000      0.1055000    
 C    2.311200      0.1918000     -0.3874000    
 C  -0.3083000      0.7571000       1.404900    
 C   -2.055500       2.189800      -2.488900    
 C    3.466600     -0.6003000     -0.9911000    
 C   -4.663800     -0.3546000      7.8699999E-02
 C   -2.790400      -1.880100      0.1076000    
 C   -5.503600      -1.377700      0.5186000    
 C   -3.630400      -2.903200      0.5475000    
 C    5.079900      -2.237500     -0.5020000    
 C   -4.987000      -2.651900      0.7529000    
 C    6.343600      -1.391300     -0.5276000    
 C    5.248500      -3.482100      0.3562000    
 C    3.300000       2.204400      0.3734000    
 H   -3.944700       1.465700      -1.851400    
 H   -2.987600      0.2731000      -2.707200    
 H    1.021600      -1.532700     -0.5861000    
 H    1.418800      -1.121500       1.084400    
 H    1.908100      0.8470000      -1.171300    
 H   -1.526900       2.213300       2.178300    
 H   -1.990800       3.042100      -1.806700    
 H   -2.491600       2.569500      -3.420400    
 H   -1.037600       1.876400      -2.733200    
 H    4.235300      9.3500003E-02  -1.343600    
 H    3.107000      -1.192800      -1.840600    
 H   -5.092900      0.6289000     -8.7099999E-02
 H   -1.746500      -2.132800     -3.9600000E-02
 H   -6.559600      -1.182000      0.6806000    
 H   -3.229100      -3.896000      0.7293000    
 H    4.849600      -2.576300      -1.520500    
 H   -5.641000      -3.448400       1.095600    
 H    6.272900     -0.5727000      -1.249700    
 H    7.215200      -1.994800     -0.8013000    
 H    6.528800     -0.9360000      0.4516000    
 H    4.321800      -4.066000      0.3668000    
 H    6.058000      -4.117600     -1.5100000E-02
 H    5.462100      -3.212900       1.396600    
 H    3.705500       2.423400       2.411000    
 H    4.149200       3.787400       1.440300    


%chk=000046490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046490

0 1
O -0.536851 -0.522482 -1.779030
O 2.633855 1.217139 0.281942
O -3.220541 2.345002 0.977625
O 4.037533 -1.465791 0.071996
O 0.534768 0.265168 2.698466
O 2.965394 2.592606 -1.612383
N 0.021693 -0.131165 0.431360
N -1.380531 1.222639 1.801319
N 3.286368 3.366704 0.584867
C -2.278750 0.538631 -0.422244
C -2.726036 1.323403 -1.700363
C -0.874895 -0.053050 -0.657697
C -3.289433 -0.632202 -0.162372
C -2.338311 1.463438 0.806750
C 1.328414 -0.803934 0.205401
C 2.285785 0.079258 -0.610696
C -0.222663 0.425578 1.711523
C -1.834017 2.532978 -2.048441
C 3.536745 -0.683791 -1.057228
C -4.594187 -0.323948 0.305969
C -2.965188 -1.982734 -0.446069
C -5.547726 -1.346834 0.494810
C -3.923098 -3.004182 -0.252979
C 5.155392 -2.378518 -0.268745
C -5.216850 -2.693277 0.219132
C 6.451312 -1.602509 -0.577434
C 5.298507 -3.307467 0.942161
C 2.967893 2.424295 -0.366205
H -3.764019 1.658367 -1.530340
H -2.732412 0.601528 -2.535340
H 1.147116 -1.741087 -0.345052
H 1.771992 -1.028507 1.185560
H 1.796859 0.486223 -1.513408
H -1.497446 1.718050 2.691254
H -1.837569 3.285189 -1.239375
H -2.214620 3.026947 -2.960161
H -0.790833 2.230641 -2.251437
H 4.289160 0.041609 -1.426086
H 3.259051 -1.357064 -1.900609
H -4.862839 0.714519 0.527998
H -1.980037 -2.248261 -0.840887
H -6.549064 -1.089747 0.857636
H -3.655299 -4.042460 -0.478387
H 4.857874 -2.971808 -1.165086
H -5.957180 -3.487019 0.367635
H 6.345861 -0.952315 -1.464256
H 7.278657 -2.308255 -0.777042
H 6.729713 -0.972766 0.286376
H 4.350288 -3.837482 1.136110
H 6.093454 -4.054787 0.768331
H 5.555892 -2.720814 1.841792
H 3.267310 3.122364 1.572533
H 3.549111 4.299781 0.281404


