%chk=000039316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039316

0 1
 O   -1.799100      -1.782000      -1.171600    
 O    2.552900       2.802700      0.2508000    
 N   -3.462400      0.1609000     -0.3603000    
 C   -3.230200      0.1885000       1.090600    
 C   -4.822400      0.6103000     -0.6894000    
 C   -4.229300     -0.7057000       1.826200    
 C   -5.873600     -0.2704000     -1.2100000E-02
 C   -5.666800     -0.3188000       1.497500    
 C   -2.470300      0.9830000      -1.052800    
 C   -1.087100      0.4817000     -0.7906000    
 C    1.176700      0.8902000     -0.2431000    
 C    1.480000     -0.4806000     -0.3086000    
 C  -8.4700003E-02   1.399400     -0.4765000    
 C  -0.8073000     -0.8965000     -0.8617000    
 C    2.883400     -0.6710000     -1.2400000E-02
 C   0.4821000      -1.387000     -0.6203000    
 C    3.474500      0.5787000      0.2419000    
 C    2.421400       1.607100      0.1061000    
 C    3.655700      -1.817400      4.8599999E-02
 C    4.809300      0.7357000      0.5560000    
 C    5.013600      -1.685900      0.3654000    
 C    5.583600     -0.4230000      0.6163000    
 H   -3.311600       1.214400       1.475200    
 H   -2.234900     -0.1750000       1.365800    
 H   -4.979100      0.5550000      -1.773500    
 H   -4.972100       1.656300     -0.3911000    
 H   -4.066700     -0.6319000       2.907500    
 H   -4.059100      -1.753500       1.547500    
 H   -5.819200      -1.287300     -0.4211000    
 H   -6.876300      0.1110000     -0.2359000    
 H   -6.362100      -1.034300       1.950000    
 H   -5.889100      0.6648000       1.929200    
 H   -2.567100       2.034300     -0.7497000    
 H   -2.636600      0.9493000      -2.137600    
 H  -0.2793000       2.464300     -0.4177000    
 H   0.6857000      -2.451400     -0.6781000    
 H    3.234000      -2.798600     -0.1416000    
 H    5.243400       1.709500      0.7482000    
 H    5.639500      -2.573100      0.4189000    
 H   -2.599800      -1.315700      -1.458300    
 H    6.640600     -0.3529000      0.8598000    


%chk=000039316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039316

0 1
O -1.887893 -1.620929 -0.754026
O 2.857202 2.908376 0.195099
N -3.492190 0.267209 -0.211234
C -3.535427 0.338993 1.287664
C -4.842574 0.497667 -0.812667
C -4.515586 -0.704218 1.855572
C -5.863621 -0.529465 -0.284882
C -5.928874 -0.510476 1.260053
C -2.442468 1.185134 -0.787394
C -1.039858 0.654193 -0.525432
C 1.345718 0.975788 -0.167507
C 1.563952 -0.436954 -0.248066
C 0.054816 1.515546 -0.303778
C -0.818793 -0.769180 -0.583937
C 3.019815 -0.693114 -0.068784
C 0.493079 -1.313840 -0.452380
C 3.675006 0.561372 0.119027
C 2.645733 1.666003 0.066719
C 3.763206 -1.885853 -0.058670
C 5.060599 0.644822 0.315564
C 5.168589 -1.807079 0.140756
C 5.812767 -0.559724 0.325667
H -3.843408 1.363360 1.599956
H -2.512205 0.164865 1.664205
H -4.743881 0.415603 -1.910768
H -5.187295 1.531779 -0.578174
H -4.537995 -0.615243 2.957733
H -4.142031 -1.718965 1.616091
H -5.570694 -1.539537 -0.632263
H -6.855392 -0.307224 -0.721732
H -6.614367 -1.297965 1.623954
H -6.342427 0.461194 1.600783
H -2.555035 2.218546 -0.395249
H -2.630611 1.221611 -1.879682
H -0.088010 2.601627 -0.247352
H 0.612709 -2.399927 -0.508755
H 3.281026 -2.859384 -0.200734
H 5.539350 1.619463 0.457278
H 5.763773 -2.727287 0.151536
H -2.773723 -1.004107 -0.584062
H 6.897221 -0.527581 0.477373


