%chk=000002065.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002065

0 1
 O   -3.232100      0.2868000      -1.983000    
 O   -4.424200      0.2272000      0.5273000    
 O    3.701500      -1.691600     -0.2946000    
 N    4.437400      0.4650000     -0.1263000    
 N    1.587000       2.552300      0.3234000    
 C  -0.3748000     -0.5940000      0.1200000    
 C   -1.137200     -0.2877000      -1.007200    
 C  -0.9731000     -0.6236000       1.379700    
 C   -2.497900     -1.1100000E-02 -0.8747000    
 C   -3.096200     -4.0800001E-02  0.3849000    
 C   -2.333700     -0.3469000       1.512200    
 C    1.044100     -0.8823000     -1.8100001E-02
 C    2.052600      2.4800001E-02  1.8500000E-02
 C    3.452600     -0.4968000     -0.1494000    
 C    1.794000       1.418500      0.1872000    
 H  -0.6793000     -0.2627000      -1.993900    
 H  -0.3922000     -0.8610000       2.267800    
 H   -2.787100     -0.3735000       2.499500    
 H    1.257400      -1.940500     -0.1546000    
 H   -4.150600      0.4500000      -1.706500    
 H   -4.661800      0.1600000       1.468000    
 H    4.257600       1.456300     -7.1999999E-03
 H    5.412000      0.2024000     -0.2319000    


%chk=000002065-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002065

0 1
O -3.091735 1.431277 -1.345397
O -4.590990 -0.072727 0.310665
O 3.743408 -1.195932 1.134623
N 4.540459 0.292640 -0.461171
N 1.913639 1.897354 -2.038877
C -0.370429 -0.377568 0.447089
C -1.042437 0.503808 -0.455101
C -1.152219 -1.182533 1.331708
C -2.441716 0.569803 -0.463341
C -3.200415 -0.243235 0.429535
C -2.558524 -1.118548 1.326127
C 1.076317 -0.524587 0.540161
C 2.109469 0.085289 -0.144041
C 3.523086 -0.330019 0.234294
C 1.956559 1.069064 -1.171002
H -0.497365 1.142119 -1.154086
H -0.645446 -1.861112 2.026074
H -3.145032 -1.742194 2.011392
H 1.439480 -1.248380 1.286624
H -4.074207 1.352374 -1.221317
H -5.098130 -0.643645 0.936355
H 4.361488 0.988650 -1.184934
H 5.500740 0.038900 -0.234281


