%chk=000066158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066158

0 1
 O   0.1782000     -4.7600001E-02   2.173100    
 N   -4.198500       3.199200     -0.8911000    
 N    5.339600       2.072100     -0.7081000    
 N  -0.5626000      -5.427400     -0.8020000    
 C   0.2312000      1.8000000E-03  0.7107000    
 C  -0.9913000      0.8779000      0.2721000    
 C    1.569700      0.5443000      0.3391000    
 C   1.2900000E-02  -1.491500      0.2945000    
 C   -2.230700      0.4211000      0.5907000    
 C  -0.7225000       2.030800     -0.3947000    
 C   -3.318900       1.201400      0.2002000    
 C    2.231800      5.5599999E-02 -0.7871000    
 C   0.3680000      -2.447100       1.193600    
 C    2.159500       1.540100       1.117700    
 C  -0.5159000      -1.724900     -0.9358000    
 C   -3.109000       2.396500     -0.4877000    
 C   -1.810800       2.811200     -0.7851000    
 C    3.483900      0.5628000      -1.134700    
 C   0.1738000      -3.777800      0.8228000    
 C    3.411600       2.047300      0.7700000    
 C  -0.7102000      -3.055500      -1.306400    
 C    4.073800       1.558500     -0.3562000    
 C  -0.3653000      -4.081900     -0.4272000    
 C   -4.698600      0.7333000      0.5318000    
 H   -2.391900     -0.4990000       1.142600    
 H   0.2611000       2.391400     -0.6630000    
 H    1.816600     -0.7046000      -1.437400    
 H   0.8143000      -2.248800       2.161000    
 H    1.661500       1.948200       1.993000    
 H  -0.7693000     -0.9451000      -1.645100    
 H  -0.4150000      0.6479000       2.502900    
 H   -1.633900       3.739000      -1.323500    
 H    3.988900      0.1768000      -2.016700    
 H   0.4520000      -4.569300       1.514200    
 H    3.859500       2.825300       1.382800    
 H   -1.126400      -3.279900      -2.285300    
 H   -5.206900       1.460100       1.174000    
 H   -5.282900      0.5817000     -0.3819000    
 H   -4.686500     -0.2211000       1.069600    
 H   -5.150000       2.924800     -0.6906000    
 H   -4.026000       4.062400      -1.389700    
 H    5.768100       2.793200     -0.1431000    
 H    5.820800       1.717200      -1.523700    
 H  -0.9526000      -5.648400      -1.708600    
 H  -0.3119000      -6.172200     -0.1654000    


%chk=000066158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066158

0 1
O 0.374481 0.293120 2.347854
N -4.423387 3.290133 -0.518305
N 5.297797 1.847045 -1.510236
N -0.518289 -5.539640 -0.039814
C 0.265255 0.147006 0.852715
C -0.970839 0.955216 0.400243
C 1.576279 0.657787 0.217461
C 0.100017 -1.367049 0.627156
C -2.196628 0.345820 0.039510
C -0.931613 2.375472 0.440621
C -3.355210 1.089914 -0.273709
C 1.630527 1.247430 -1.069869
C -0.474718 -2.189606 1.627554
C 2.802075 0.459968 0.904120
C 0.461264 -1.972679 -0.601295
C -3.295332 2.518804 -0.218144
C -2.068769 3.145549 0.140910
C 2.854306 1.641712 -1.648521
C -0.677112 -3.567668 1.417095
C 4.031002 0.851683 0.343380
C 0.256516 -3.347174 -0.830877
C 4.079238 1.453079 -0.948412
C -0.317283 -4.172147 0.178652
C -4.649989 0.398420 -0.660081
H -2.251612 -0.747401 -0.001790
H 0.007026 2.887346 0.688025
H 0.702033 1.408951 -1.629354
H -0.744705 -1.733586 2.584045
H 2.773871 -0.006948 1.894005
H 0.923693 -1.366414 -1.387599
H 0.294650 1.261497 2.547873
H -2.012300 4.241044 0.176924
H 2.863766 2.099369 -2.646087
H -1.114518 -4.182852 2.214058
H 4.962934 0.691112 0.900727
H 0.550938 -3.789603 -1.791205
H -5.471351 0.633249 0.048222
H -4.992397 0.694737 -1.673207
H -4.524916 -0.696960 -0.663626
H -5.305435 2.854850 -0.767029
H -4.381215 4.303705 -0.474325
H 6.170182 1.703612 -1.011049
H 5.334049 2.264965 -2.434802
H -0.242045 -5.972152 -0.915805
H -0.903036 -6.130918 0.690291


