%chk=000046069.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046069

0 1
 O   -2.859900     -0.3158000     -0.8865000    
 O   -3.067800      0.6960000       1.196500    
 N    3.255100       1.476700      4.9300000E-02
 N   -4.945100      3.7000000E-02  3.4000000E-03
 C    2.800000      0.1604000     -0.4110000    
 C    3.433900     -0.8830000      0.5232000    
 C    2.863100      -2.267300      0.2510000    
 C    1.287100      3.0400001E-02 -0.5098000    
 C    1.371500      -2.281800      0.5663000    
 C   0.6260000      -1.136200     -7.1900003E-02
 C   0.5259000       1.042700      -1.122400    
 C  -0.7706000      -1.233400     -0.1915000    
 C    4.713700       1.513400      0.1147000    
 C    2.672700       1.786000       1.352600    
 C   -1.508700     -0.2065000     -0.7750000    
 C  -0.8596000      0.9279000      -1.247300    
 C   -3.589200      0.1914000      0.2064000    
 C   -5.948100      0.4622000      0.9519000    
 H    3.177000     -1.2100000E-02  -1.429300    
 H    3.278100     -0.6891000       1.588600    
 H    4.515200     -0.9613000      0.3606000    
 H    3.376200      -3.017800      0.8632000    
 H    3.030700      -2.538900     -0.7989000    
 H    1.224700      -2.222900       1.652100    
 H   0.9519000      -3.236300      0.2267000    
 H    1.009900       1.936300      -1.510100    
 H   -1.283600      -2.122700      0.1691000    
 H    5.035700       2.557400      0.2125000    
 H    5.169500       1.146500     -0.8124000    
 H    5.147000      0.9788000      0.9673000    
 H    2.897900       2.834500       1.587700    
 H    3.072300       1.204600       2.188900    
 H    1.580700       1.725000       1.378200    
 H   -1.423600       1.729900      -1.715800    
 H   -5.254900     -0.3990000     -0.8597000    
 H   -5.494400      0.9194000       1.834300    
 H   -6.531900     -0.4134000       1.246200    
 H   -6.602800       1.182700      0.4558000    


%chk=000046069-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046069

0 1
O -2.890448 0.635730 -0.273661
O -3.704775 -1.368805 0.747591
N 3.510906 1.390352 -0.127789
N -5.107478 0.342563 -0.039337
C 2.869901 0.051539 -0.281400
C 3.418436 -1.054101 0.666344
C 2.613717 -2.359462 0.494559
C 1.336494 0.156818 -0.204857
C 1.152914 -2.141972 0.941473
C 0.533047 -0.883951 0.337077
C 0.695953 1.301837 -0.744820
C -0.881880 -0.766950 0.335620
C 4.889518 1.456782 -0.642518
C 3.369869 2.010160 1.203342
C -1.486909 0.385823 -0.203852
C -0.703595 1.428999 -0.747876
C -3.890379 -0.252138 0.204483
C -6.371978 -0.298113 0.326951
H 3.118816 -0.265572 -1.318823
H 3.341430 -0.719273 1.720027
H 4.490478 -1.224959 0.452292
H 3.069968 -3.178704 1.082271
H 2.639214 -2.671183 -0.569617
H 1.124743 -2.060147 2.048532
H 0.531956 -3.020990 0.684170
H 1.329853 2.098387 -1.148843
H -1.500536 -1.566326 0.748233
H 5.214242 2.513193 -0.686197
H 4.924610 1.046278 -1.668313
H 5.639602 0.902663 -0.024052
H 3.666847 3.073797 1.143355
H 3.994478 1.530786 1.997006
H 2.314584 1.968435 1.523379
H -1.199464 2.311795 -1.162299
H -5.098341 1.257193 -0.490792
H -6.137915 -1.266321 0.797040
H -7.002678 -0.480007 -0.562894
H -6.939600 0.317546 1.049096


