%chk=000028942.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028942

0 1
 O   -2.842100       1.647700      0.9313000    
 O    2.969900      -1.559700      0.4738000    
 N    2.428700      0.5999000     -0.2174000    
 N   -3.218100     -0.9461000      0.1326000    
 C    1.066100      0.4512000     -0.2795000    
 C   -1.964200     -0.3930000      0.1056000    
 C   0.5299000     -0.7463000     -4.0000002E-03
 C  -0.8568000      -1.134800     -5.5300001E-02
 C   0.3272000       1.626700     -0.6756000    
 C   -1.951800       1.090100      0.2897000    
 C  -0.9497000       1.923300     -0.4151000    
 C    3.288500     -0.4197000      0.1431000    
 C   -3.556300      -2.160700     -0.5559000    
 C    4.728700      2.1400001E-02  0.1267000    
 H    1.048400      -1.646900      0.2695000    
 H  -0.9694000      -2.213100     -0.1714000    
 H   0.9027000       2.388300      -1.201500    
 H   -1.315600       2.904200     -0.7122000    
 H    2.817400       1.512100     -0.4441000    
 H   -3.981900     -0.3223000      0.3756000    
 H   -3.216700      -2.142900      -1.597000    
 H   -4.644000      -2.285000     -0.5659000    
 H   -3.134100      -3.035400     -5.0799999E-02
 H    5.382100     -0.8532000      0.1884000    
 H    4.919200      0.6748000      0.9825000    
 H    4.952300      0.5588000     -0.7994000    


%chk=000028942-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028942

0 1
O -3.322660 1.686016 -0.399916
O 3.218456 -1.695479 0.075034
N 2.501196 0.541975 -0.085066
N -3.338244 -0.869241 -0.244692
C 1.071516 0.433793 -0.139329
C -2.075487 -0.337346 -0.224852
C 0.451012 -0.833773 -0.090251
C -0.924798 -1.153548 -0.129252
C 0.398582 1.692814 -0.242699
C -2.139126 1.158136 -0.317994
C -0.960188 1.992860 -0.318248
C 3.474793 -0.454309 0.013670
C -3.677799 -2.284740 -0.173011
C 4.911405 0.065172 0.043852
H 1.138189 -1.682500 -0.011184
H -1.125019 -2.231769 -0.074681
H 1.057078 2.576328 -0.267485
H -1.219797 3.057215 -0.392647
H 2.857894 1.499123 -0.126011
H -4.062490 -0.134207 -0.320125
H -3.250727 -2.853038 -1.023249
H -4.773461 -2.393463 -0.204349
H -3.312459 -2.747166 0.765498
H 5.469981 -0.379773 -0.797660
H 5.396171 -0.278186 0.974008
H 4.996384 1.164506 -0.015662


