%chk=000002238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002238

0 1
 O   0.5216000      0.9917000      0.6855000    
 O   -3.257000      0.1001000     -0.6063000    
 O   -3.660800      -2.701100      0.4706000    
 O   -2.938800      -2.744900      -1.602100    
 N    3.361800     -0.5002000      0.2663000    
 N   -2.759400      -2.524700     -0.3818000    
 N    4.767100      0.7439000     -0.9207000    
 C    1.058200      -1.289500      0.9186000    
 C   0.1186000     -0.3161000      0.5725000    
 C   -1.149600     -0.7039000      0.1407000    
 C    2.426200     -0.9103000       1.384300    
 C   -1.486500      -2.057000      5.1800001E-02
 C   -2.122700      0.3389000     -0.2190000    
 C   -1.672000       1.733100     -9.1200002E-02
 C   0.7265000      -2.642100      0.8309000    
 C  -0.3735000       1.979100      0.3542000    
 C  -0.5435000      -3.024800      0.3983000    
 C   -2.526000       2.792200     -0.4100000    
 C   7.5400002E-02   3.295100      0.4821000    
 C    3.689200      -1.247800     -0.8298000    
 C    4.032900      0.6869000      0.1680000    
 C   -2.071500       4.104700     -0.2804000    
 C  -0.7734000       4.356000      0.1647000    
 C    4.557200     -0.4591000      -1.547300    
 H    2.401000     -7.2800003E-02   2.091200    
 H    2.943400      -1.741200       1.879700    
 H    1.448300      -3.410700       1.094900    
 H  -0.7809000      -4.084500      0.3367000    
 H   -3.540000       2.618100     -0.7583000    
 H    1.085000       3.501700      0.8277000    
 H    3.297400      -2.240700      -1.000000    
 H    3.947800       1.466600      0.9125000    
 H   -2.729600       4.933000     -0.5266000    
 H  -0.4230000       5.379200      0.2642000    
 H    5.042800     -0.6968000      -2.482500    


%chk=000002238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002238

0 1
O 0.575994 0.879640 0.664615
O -3.341186 0.057620 -0.582540
O -3.761145 -2.766686 0.637276
O -3.053687 -2.882296 -1.535806
N 3.296219 -0.417788 0.330894
N -2.894843 -2.592599 -0.294879
N 4.647843 1.078335 -0.709817
C 1.083386 -1.430675 0.940530
C 0.130033 -0.441214 0.575698
C -1.191810 -0.761350 0.157647
C 2.482684 -1.043217 1.392021
C -1.532878 -2.139374 0.125329
C -2.152387 0.314197 -0.216823
C -1.616283 1.691963 -0.135630
C 0.679334 -2.777896 0.889392
C -0.283765 1.931887 0.288541
C -0.626934 -3.145300 0.484309
C -2.420874 2.809276 -0.488303
C 0.258797 3.230717 0.357985
C 3.555014 -0.934908 -0.947169
C 3.977476 0.795329 0.423128
C -1.901151 4.111382 -0.419502
C -0.558201 4.319620 0.001433
C 4.385469 -0.001509 -1.571751
H 2.427972 -0.314579 2.220554
H 2.999494 -1.944568 1.770015
H 1.392524 -3.560650 1.170183
H -0.927477 -4.196047 0.450205
H -3.447327 2.611572 -0.813662
H 1.297923 3.364457 0.671200
H 3.132522 -1.875963 -1.289451
H 3.950243 1.415680 1.316526
H -2.524745 4.967837 -0.693585
H -0.150500 5.334823 0.045401
H 4.804468 -0.035619 -2.574565


