%chk=000046125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046125

0 1
 O    2.608600      0.4131000      0.8016000    
 O   -2.878100     -0.1399000      0.7363000    
 O    2.531400      0.9816000      -1.451700    
 O   -2.864600      0.4412000      -1.515000    
 N    4.550100      0.9142000     -0.3105000    
 N   -4.852000     -5.9599999E-02 -0.4280000    
 C    1.521300      -2.150400      0.1626000    
 C   0.6725000     -0.9626000      0.4762000    
 C    1.253700      0.2678000      0.7826000    
 C  -0.7162000      -1.093800      0.4615000    
 C    1.294300      -2.672900      -1.267900    
 C    1.327700      -3.294200       1.175100    
 C  -0.9424000       1.236000       1.060000    
 C   -1.523500      5.5000000E-03  0.7535000    
 C   0.4463000       1.367000       1.074500    
 C   -1.791200       2.423300       1.375100    
 C    3.180800      0.7925000     -0.4274000    
 C   -3.485400      0.1121000     -0.5085000    
 C    5.414500       1.291300      -1.404400    
 C   -5.747600      0.1279000      -1.545600    
 H    2.583200      -1.885000      0.2207000    
 H   -1.185200      -2.045700      0.2258000    
 H   0.2803000      -3.062800      -1.407200    
 H    1.995600      -3.482900      -1.496200    
 H    1.451500      -1.875800      -2.003000    
 H    1.508400      -2.943600       2.197300    
 H    2.029400      -4.110400      0.9710000    
 H   0.3151000      -3.710000       1.136900    
 H   0.9076000       2.322800       1.311500    
 H   -1.200400       3.242900       1.798300    
 H   -2.277400       2.793600      0.4670000    
 H   -2.557500       2.167100       2.114400    
 H    4.973200      0.7269000      0.5933000    
 H   -5.249800     -0.3318000      0.4657000    
 H    5.965200       2.188000      -1.110400    
 H    4.843300       1.488100      -2.314600    
 H    6.119700      0.4750000      -1.578400    
 H   -5.203000      0.4041000      -2.451400    
 H   -6.457600      0.9165000      -1.284700    
 H   -6.289600     -0.8067000      -1.708800    


%chk=000046125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046125

0 1
O 2.623731 0.612829 0.723779
O -2.932110 -0.293265 0.559570
O 2.993479 0.468640 -1.624960
O -3.388496 0.957336 -1.415509
N 4.707166 0.967409 -0.088777
N -5.058455 -0.182882 -0.208223
C 1.657994 -2.145081 0.077609
C 0.736374 -0.948556 0.320581
C 1.218915 0.355433 0.589096
C -0.672113 -1.096318 0.285013
C 1.553742 -2.632075 -1.392632
C 1.372095 -3.298000 1.075746
C -1.045149 1.294121 0.805974
C -1.528663 -0.007852 0.518498
C 0.359679 1.445625 0.830146
C -1.974756 2.458709 1.073024
C 3.419555 0.667022 -0.464412
C -3.775562 0.239408 -0.465504
C 5.791344 1.102575 -1.064252
C -6.183852 0.176504 -1.073872
H 2.698530 -1.811801 0.248919
H -1.120787 -2.073439 0.078591
H 0.529645 -2.982040 -1.621499
H 2.248760 -3.474073 -1.570567
H 1.805022 -1.812351 -2.086690
H 1.463383 -2.955842 2.122558
H 2.087716 -4.126103 0.917045
H 0.353508 -3.706773 0.939472
H 0.802585 2.423816 1.044003
H -1.424593 3.314005 1.499603
H -2.458879 2.787788 0.135264
H -2.779792 2.176307 1.776059
H 4.881899 1.108139 0.906436
H -5.199304 -0.776361 0.609475
H 6.224374 2.119800 -1.045116
H 5.371535 0.918238 -2.065867
H 6.595255 0.366828 -0.876715
H -5.795216 0.803241 -1.892149
H -6.949567 0.751342 -0.520658
H -6.656790 -0.721902 -1.511858


