%chk=000006020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006020

0 1
 O    2.398800      0.4526000      0.9803000    
 O    2.750300      -2.509500     -0.2182000    
 O    4.559800       2.226400       1.386600    
 N   0.1979000     -1.2700000E-02  0.2261000    
 N    4.339000     -0.8560000      -1.828200    
 N   -1.315000       1.473000     -0.4608000    
 N   -1.271600      -1.832000      0.8825000    
 N   -4.291800      0.8583000     -0.3807000    
 N   -3.614400      -1.254300      0.5168000    
 C    3.223600     -0.2795000      -1.098100    
 C    2.167000      -1.284700     -0.6612000    
 C    1.507800     -0.5902000      0.5333000    
 C    3.621900      0.3593000      0.2275000    
 C    4.245200       1.737400      9.2900001E-02
 C   -1.019700     -0.6062000      0.3989000    
 C  -3.1300001E-02   1.234200     -0.2917000    
 C   -1.944500      0.3309000     -3.3199999E-02
 C   -3.286200     -3.0099999E-02  3.7999999E-02
 C   -2.601700      -2.067200      0.9036000    
 C   -4.098900       2.293500     -0.2786000    
 C   -5.536200      0.3568000     -0.9358000    
 H    2.739600      0.4772000      -1.729000    
 H    1.472000      -1.531300      -1.471000    
 H    1.360100      -1.270400       1.380300    
 H    4.288300     -0.2940000      0.8064000    
 H    3.542800       2.441100     -0.3657000    
 H    5.163100       1.701500     -0.5015000    
 H    3.989200      -1.352700      -2.646900    
 H    4.801500      -1.559000      -1.252600    
 H    2.024800      -3.086400      7.6300003E-02
 H   0.7664000       1.924300     -0.5309000    
 H    4.954100       3.107800       1.271400    
 H   -2.900900      -3.039000       1.281300    
 H   -3.539400       2.672500      -1.139900    
 H   -3.578900       2.568500      0.6460000    
 H   -5.061500       2.817100     -0.2590000    
 H   -5.342000     -0.4056000      -1.698200    
 H   -6.116100       1.153800      -1.413500    
 H   -6.155400     -8.4399998E-02 -0.1478000    


%chk=000006020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006020

0 1
O 2.480873 1.159633 0.413743
O 1.765157 -2.282587 -0.469336
O 5.221656 2.233752 1.094345
N 0.186530 0.554198 0.249881
N 4.435277 -1.743228 -0.729471
N -1.627760 1.940454 0.247042
N -0.916848 -1.613922 -0.205261
N -4.528575 0.651895 -0.273981
N -3.337962 -1.379909 -0.441105
C 3.550141 -0.587026 -0.887381
C 2.001489 -0.887863 -0.774727
C 1.550915 0.039180 0.395851
C 3.800716 0.486099 0.223277
C 4.858372 1.509858 -0.131838
C -0.919132 -0.257541 0.001087
C -0.292493 1.861813 0.393629
C -2.047308 0.611604 0.002766
C -3.326268 -0.007466 -0.235506
C -2.182646 -2.088379 -0.417701
C -4.657961 2.106440 -0.071135
C -5.786142 -0.073983 -0.527155
H 3.743174 -0.124840 -1.872878
H 1.476811 -0.578944 -1.702134
H 1.620729 -0.544772 1.342167
H 4.087948 -0.026231 1.164883
H 4.461421 2.198771 -0.908077
H 5.730277 0.954135 -0.538025
H 4.691232 -2.177227 -1.622043
H 4.017326 -2.448098 -0.107239
H 0.752716 -2.358622 -0.362210
H 0.377582 2.692063 0.594523
H 5.912535 2.910549 0.883181
H -2.274194 -3.164681 -0.590361
H -5.120182 2.569735 -0.964486
H -3.672092 2.561440 0.104891
H -5.313656 2.306324 0.798619
H -5.561283 -1.142469 -0.648442
H -6.268466 0.312899 -1.445399
H -6.482207 0.067948 0.321703


