%chk=000067772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067772

0 1
 O   -2.637800       1.700600      0.5571000    
 O   -5.143800      0.4403000      0.5526000    
 N    4.162000     -0.1050000      0.3732000    
 N    5.526500     -0.3653000      2.2500001E-02
 N   -3.091800     -0.5000000     -5.2400000E-02
 N   -5.026300      -1.746000     -0.1434000    
 C    1.897900     -4.4199999E-02 -0.5762000    
 C    3.349800     -0.2692000     -0.8336000    
 C    1.356200       1.234500     -0.7077000    
 C    1.081500      -1.112600     -0.2047000    
 C  -0.8178000      0.3767000     -9.6299998E-02
 C  -1.6000000E-03   1.445000     -0.4678000    
 C  -0.2764000     -0.9020000      3.5300002E-02
 C   -2.233600      0.5961000      0.1542000    
 C    6.330200     -0.2369000       1.231000    
 C   -4.474900     -0.5121000      0.1562000    
 H    3.483800      -1.274800      -1.256900    
 H    3.686100      0.4303000      -1.611500    
 H    1.981500       2.075500     -0.9960000    
 H    1.493400      -2.111900     -9.0200000E-02
 H  -0.4053000       2.448000     -0.5796000    
 H  -0.8673000      -1.755300      0.3546000    
 H    3.859700     -0.7867000       1.070000    
 H    5.612500      -1.319700     -0.3275000    
 H   -2.704300      -1.361700     -0.4238000    
 H    7.381100     -0.4232000      0.9880000    
 H    6.033000     -0.9601000       1.998900    
 H    6.266000      0.7740000       1.648400    
 H   -4.458200      -2.521000     -0.4686000    
 H   -6.021900      -1.913400     -4.4000000E-02


%chk=000067772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067772

0 1
O -2.554206 1.397592 1.154885
O -5.147556 -0.102735 1.166058
N 4.288316 -0.269337 0.455135
N 5.669062 -0.394063 0.091854
N -3.213393 -0.418502 -0.187047
N -5.353190 -0.878016 -1.024933
C 1.924251 -0.695869 -0.164218
C 3.385684 -1.048407 -0.416342
C 1.540549 0.630835 0.165296
C 0.917973 -1.688472 -0.269204
C -0.823064 -0.030737 0.229445
C 0.186435 0.957173 0.366067
C -0.442154 -1.362086 -0.083155
C -2.250203 0.388072 0.468812
C 6.446563 0.831745 0.350327
C -4.622839 -0.420203 0.073556
H 3.517356 -2.154125 -0.318587
H 3.670692 -0.792559 -1.454560
H 2.323703 1.388900 0.264940
H 1.201208 -2.725508 -0.486842
H -0.118455 1.973865 0.635730
H -1.191101 -2.162836 -0.124601
H 4.090558 -0.410979 1.462440
H 6.124965 -1.241457 0.473664
H -2.867174 -1.068439 -0.896336
H 7.482349 0.669458 -0.000990
H 6.482727 1.137231 1.422750
H 6.006034 1.662083 -0.225140
H -4.976584 -0.895487 -1.971248
H -6.358308 -0.977239 -0.895955


