%chk=000020345.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020345

0 1
 O    3.713300      0.4854000       1.021300    
 O    4.491900      -1.942400     -0.9263000    
 O    5.548500      0.2994000      -2.062000    
 O    5.520400       2.537100       1.729200    
 O   -5.427900      0.9274000      -1.181300    
 N    1.567600     -0.2112000      0.2829000    
 N  -0.2520000       1.064500      8.3700001E-02
 N   0.5214000      -2.391700      0.5140000    
 N   -3.045600     -0.1340000      0.1492000    
 N   -1.911800      -2.222700      0.4292000    
 C    3.635800     -0.8038000      -1.001600    
 C    2.983900     -0.5723000      0.3628000    
 C    4.432700      0.4695000      -1.214500    
 C    4.840700      0.8355000      0.2019000    
 C    5.165500       2.308300      0.3768000    
 C   0.4983000      -1.059800      0.3552000    
 C    1.064200       1.053600      0.1204000    
 C  -0.6189000     -0.2497000      0.2293000    
 C   -1.859400     -0.8782000      0.2707000    
 C  -0.7354000      -2.886200      0.5395000    
 C   -4.348600     -0.7289000      0.1848000    
 C   -5.477000      0.2446000     -2.5500000E-02
 C   -6.545500      0.5692000      0.7354000    
 C   -7.240900       1.551900     -8.7000001E-03
 C   -6.521000       1.734600      -1.166400    
 H    2.926400     -0.9877000      -1.814900    
 H    3.047300      -1.455500       1.009000    
 H    3.775100       1.238600      -1.638200    
 H    5.692900      0.2328000      0.5419000    
 H    4.302100       2.941300      0.1473000    
 H    6.004400       2.611800     -0.2557000    
 H    3.930000      -2.716400     -0.7497000    
 H    6.019000       1.148900      -2.106100    
 H    1.696300       1.926400      2.9800000E-02
 H    4.768100       2.261900       2.280800    
 H   -2.955100      0.8699000      3.6800001E-02
 H  -0.8151000      -3.960600      0.6650000    
 H   -4.497000      -1.230200       1.149500    
 H   -4.428500      -1.499000     -0.5930000    
 H   -6.811000      0.1660000       1.701900    
 H   -8.152700       2.063200      0.2644000    
 H   -6.646300       2.367600      -2.032800    


%chk=000020345-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020345

0 1
O 3.803839 1.026850 0.422745
O 4.268079 -1.717962 2.003336
O 4.876720 -2.304006 -0.514001
O 5.077714 2.082364 -1.913045
O -5.863225 1.154403 0.743238
N 1.582278 0.646142 1.270939
N -0.345739 1.772651 1.821964
N 0.830462 -0.376777 -0.886352
N -2.807174 1.628171 -0.016787
N -1.496332 0.219834 -1.417852
C 3.259201 -1.252829 1.058775
C 2.989628 0.240373 1.366834
C 3.850103 -1.254225 -0.386781
C 4.537434 0.119167 -0.510984
C 4.460200 0.755524 -1.900210
C 0.666666 0.384806 0.239521
C 0.916834 1.491032 2.180644
C -0.513037 1.084157 0.605868
C -1.630521 0.981047 -0.277736
C -0.301738 -0.398294 -1.653051
C -4.010669 1.502124 -0.864334
C -5.059215 0.600059 -0.284535
C -5.437869 -0.714786 -0.498764
C -6.519862 -1.009554 0.420414
C -6.747539 0.140515 1.155237
H 2.341122 -1.863674 1.140926
H 3.322668 0.460587 2.396036
H 3.032271 -1.367862 -1.119081
H 5.588264 0.048840 -0.171125
H 3.398060 0.800497 -2.222004
H 5.038557 0.152895 -2.621266
H 4.921015 -2.254900 1.468768
H 4.490669 -3.103433 -0.949419
H 1.409034 1.859402 3.078596
H 4.641936 2.617852 -1.200634
H -2.868292 2.141122 0.865896
H -0.247642 -0.986802 -2.574186
H -3.677331 1.094284 -1.831440
H -4.432533 2.510451 -1.030150
H -4.990754 -1.391883 -1.223852
H -7.055833 -1.951488 0.518249
H -7.441353 0.412426 1.945601


