%chk=000007177.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007177

0 1
 O  -2.5000000E-02   1.179700      0.1234000    
 O  -0.5332000       1.066000      -2.118900    
 N    2.810600     -0.9866000     -0.1389000    
 N   -5.849400      -1.046300      0.7643000    
 C    2.294200       1.258500      0.8984000    
 C    2.357600     -0.2848000       1.059000    
 C    1.270700       1.680800     -0.1798000    
 C    1.878000       1.856100       2.259100    
 C    3.674000       1.830200      0.5214000    
 C    2.898600      -2.425400      0.1118000    
 C    4.104900     -0.4662000     -0.5802000    
 C    1.563200      -2.985300      0.5714000    
 C    4.560400      -1.142600      -1.862100    
 C  -0.8277000      0.9133000     -0.9436000    
 C   -2.146500      0.4000000     -0.4945000    
 C   -3.259900      0.6533000      -1.269400    
 C   -2.218000     -0.3157000      0.6833000    
 C   -4.498700      0.1700000     -0.8480000    
 C   -3.456700     -0.7991000       1.104500    
 C   -4.597200     -0.5562000      0.3389000    
 H    1.351700     -0.6135000       1.341500    
 H    3.015500     -0.5267000       1.906500    
 H    1.610200       1.331500      -1.162700    
 H    1.203700       2.774800     -0.2257000    
 H   0.9236000       1.442100       2.603500    
 H    1.761200       2.944200       2.200000    
 H    2.627500       1.642000       3.029700    
 H    4.532200       1.313000      0.9568000    
 H    3.790900       2.158600     -0.5170000    
 H    3.754800       2.813500       1.016000    
 H    3.143100      -2.962300     -0.8107000    
 H    3.673500      -2.666500      0.8504000    
 H    4.902000     -0.5306000      0.1662000    
 H    3.984800      0.4958000      -1.039900    
 H    1.337000      -2.730200       1.611400    
 H   0.7387000      -2.649000     -6.6900000E-02
 H    1.588200      -4.079800      0.5194000    
 H    4.935700      -2.155300      -1.682700    
 H    3.758900      -1.194000      -2.608400    
 H    5.389500     -0.5819000      -2.310900    
 H   -3.196300       1.219900      -2.193600    
 H   -1.343400     -0.5303000       1.290000    
 H   -5.380200      0.3663000      -1.453100    
 H   -3.520000      -1.366700       2.029500    
 H   -5.921500      -1.570800       1.626000    
 H   -6.677100     -0.8686000      0.2110000    


%chk=000007177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000007177

0 1
O -0.012853 0.833299 0.135141
O -1.004843 1.503207 -1.867884
N 3.245380 -0.959794 -0.074249
N -5.968858 -1.282548 1.293472
C 2.321632 1.293973 0.771399
C 2.642804 -0.211495 1.061310
C 1.274871 1.401028 -0.353774
C 1.795170 1.943149 2.076732
C 3.577249 2.059514 0.280582
C 2.624271 -2.294255 -0.310211
C 4.732095 -1.049510 -0.013545
C 1.221673 -2.224570 -0.940118
C 5.384729 -1.138976 -1.407004
C -1.103187 0.950114 -0.740059
C -2.340367 0.360785 -0.178271
C -3.524764 0.395357 -0.963857
C -2.394726 -0.234424 1.111580
C -4.725835 -0.144968 -0.484374
C -3.591305 -0.778787 1.602358
C -4.780377 -0.743990 0.811509
H 1.690502 -0.698412 1.344255
H 3.300753 -0.255144 1.961923
H 1.602813 0.824325 -1.237597
H 1.099814 2.451638 -0.651003
H 0.888831 1.428709 2.440997
H 1.536118 3.005518 1.910478
H 2.565829 1.901408 2.869699
H 4.381199 2.021042 1.039575
H 3.963665 1.629200 -0.660742
H 3.339566 3.125227 0.101066
H 3.288765 -2.852694 -0.995422
H 2.580150 -2.889037 0.638336
H 5.056147 -1.921734 0.609535
H 5.110586 -0.147465 0.496701
H 0.509618 -1.674892 -0.300500
H 1.263006 -1.711597 -1.917498
H 0.821769 -3.244290 -1.096039
H 5.043619 -2.030846 -1.962781
H 5.124678 -0.249667 -2.008141
H 6.486079 -1.198142 -1.318500
H -3.475115 0.856255 -1.956186
H -1.487642 -0.260469 1.722413
H -5.630469 -0.110101 -1.103525
H -3.618735 -1.233855 2.600041
H -6.013803 -1.708037 2.214993
H -6.816400 -1.258848 0.733583


