%chk=000050993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050993

0 1
 O    5.647800      -1.421700     -0.4694000    
 N    2.890800      -1.445500      0.2378000    
 N  -0.6343000     -0.2404000      0.1895000    
 C    1.467800      -1.461400     -9.4800003E-02
 C   0.7818000     -0.2555000      0.5342000    
 C    3.561500      -2.645400     -0.2815000    
 C    3.537400     -0.2375000     -0.2935000    
 C    5.046400      -2.600400      6.7699999E-02
 C    5.023100     -0.2493000      5.4699998E-02
 C   -1.291400      0.9375000      0.7591000    
 C   -1.291900      -1.462800      0.6552000    
 C  -0.6427000       2.217300      0.3029000    
 C   -2.743100      -1.506100      0.2560000    
 C   0.3993000       2.757300       1.043800    
 C   -3.701800     -0.9720000       1.105700    
 C   -1.096000       2.839400     -0.8519000    
 C   -3.101700      -2.079800     -0.9557000    
 C    1.000100       3.943200      0.6213000    
 C   -5.046300      -1.012500      0.7361000    
 C  -0.4952000       4.025200      -1.274500    
 C   -4.446100      -2.120200      -1.325400    
 C   0.5529000       4.577100     -0.5378000    
 C   -5.418400      -1.586600     -0.4794000    
 H    1.078700      -2.395000      0.3200000    
 H    1.309100      -1.480300      -1.181300    
 H   0.9429000     -0.2390000       1.620000    
 H    1.230400      0.6271000      8.7800004E-02
 H    3.445100      -2.704500      -1.371600    
 H    3.122900      -3.549200      0.1568000    
 H    3.152200      0.6823000      0.1526000    
 H    3.413700     -0.1798000      -1.382500    
 H    5.208400      -2.632800       1.152000    
 H    5.558200      -3.463600     -0.3695000    
 H    5.518500      0.6184000     -0.3927000    
 H    5.186200     -0.2016000       1.138500    
 H   -2.334800       1.019700      0.4403000    
 H   -1.300500      0.9061000       1.857800    
 H  -0.8557000      -2.366700      0.2205000    
 H   -1.202500      -1.578500       1.744600    
 H   0.7495000       2.284000       1.956800    
 H   -3.430300     -0.5364000       2.063200    
 H   -1.909500       2.417600      -1.435600    
 H   -2.353300      -2.496000      -1.624300    
 H    1.814200       4.374600       1.196600    
 H   -5.803700     -0.6003000       1.396300    
 H  -0.8430000       4.518600      -2.177400    
 H   -4.735900      -2.566500      -2.272200    
 H    1.020300       5.500600     -0.8665000    
 H   -6.465200      -1.618700     -0.7670000    


%chk=000050993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050993

0 1
O 5.747626 -1.834723 -0.565368
N 2.921405 -1.501025 0.052867
N -0.592164 -0.142913 0.691370
C 1.496482 -1.187438 -0.211877
C 0.869158 -0.311799 0.895740
C 3.408505 -2.643398 -0.764346
C 3.817639 -0.328686 -0.131278
C 4.854512 -2.990045 -0.375257
C 5.261607 -0.702186 0.240664
C -1.117798 1.156855 1.178083
C -1.386183 -1.290276 1.194008
C -0.593044 2.353038 0.390687
C -2.777535 -1.385100 0.573020
C -0.261744 3.561472 1.051987
C -3.899304 -1.733564 1.364577
C -0.471230 2.291975 -1.021133
C -2.961492 -1.173234 -0.817035
C 0.171848 4.691456 0.320111
C -5.179936 -1.875002 0.780992
C -0.034984 3.416573 -1.754754
C -4.238588 -1.310620 -1.402868
C 0.286486 4.622594 -1.087155
C -5.353590 -1.664244 -0.605889
H 0.949339 -2.148333 -0.266043
H 1.349655 -0.674275 -1.195129
H 1.111270 -0.763132 1.887172
H 1.326418 0.692867 0.874822
H 3.373178 -2.412405 -1.859511
H 2.757979 -3.519611 -0.579417
H 3.483759 0.499271 0.519906
H 3.791449 0.036401 -1.189727
H 4.884544 -3.315235 0.687327
H 5.261371 -3.786801 -1.019941
H 5.954379 0.128937 0.028401
H 5.309539 -0.964107 1.319917
H -2.220238 1.113775 1.076413
H -0.906554 1.310850 2.266685
H -0.822570 -2.212085 0.951780
H -1.483033 -1.270844 2.309334
H -0.343427 3.618678 2.145055
H -3.771218 -1.892623 2.443049
H -0.714254 1.350351 -1.525465
H -2.093164 -0.888148 -1.421429
H 0.423843 5.619363 0.846319
H -6.038903 -2.142836 1.406912
H 0.052886 3.356225 -2.845838
H -4.367217 -1.142263 -2.478386
H 0.624740 5.495883 -1.656386
H -6.345548 -1.769609 -1.059666


