%chk=000010860.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010860

0 1
 O   0.3587000      -1.407800       1.423200    
 N    2.297400      -1.341700     -0.4829000    
 N    1.024100     -0.9147000     -0.7234000    
 N   -1.988200     -0.5643000      0.8059000    
 N   -1.136800     -0.5104000     -0.1102000    
 C    3.314100     -0.3992000     -0.2878000    
 C    4.658400     -0.7881000     -0.3330000    
 C    2.997700      0.9429000     -4.4799998E-02
 C    5.671200      0.1509000     -0.1380000    
 C    4.010700       1.882000      0.1501000    
 C    5.347400       1.485800      0.1035000    
 C   -3.216500     -7.7699997E-02  0.3478000    
 C   -4.138300     -0.9483000     -0.2338000    
 C   -3.520000       1.278300      0.4715000    
 C   -5.363300     -0.4631000     -0.6918000    
 C   -4.745100       1.763300      1.3500000E-02
 C   -5.666600      0.8926000     -0.5681000    
 C   9.5200002E-02 -0.9807000      0.2983000    
 H    4.925400      -1.825400     -0.5201000    
 H    1.970400       1.293600      4.9999999E-03
 H    2.523600      -2.298200     -0.7229000    
 H    6.712000     -0.1573000     -0.1740000    
 H    3.759200       2.921400      0.3396000    
 H    6.136000       2.216900      0.2557000    
 H   -3.911600      -2.006600     -0.3341000    
 H   -2.808800       1.964700      0.9237000    
 H   0.8223000     -0.5773000      -1.657800    
 H   -6.080900      -1.140900      -1.144600    
 H   -4.981600       2.818900      0.1100000    
 H   -6.620400       1.270300     -0.9245000    


%chk=000010860-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010860

0 1
O 0.215661 -1.066551 2.151125
N 2.327133 -0.853054 0.426770
N 1.051648 -0.430132 0.074997
N -2.272914 -0.354082 1.038353
N -1.203452 -0.247491 0.292732
C 3.487847 -0.220587 -0.054425
C 4.751408 -0.726636 0.364807
C 3.435097 0.866525 -0.970094
C 5.936966 -0.150489 -0.127730
C 4.635199 1.424080 -1.461824
C 5.891267 0.924042 -1.050239
C -3.491355 0.028524 0.391823
C -3.599710 0.520104 -0.941764
C -4.653794 -0.111687 1.196952
C -4.864937 0.862165 -1.451523
C -5.918372 0.232671 0.676834
C -6.026263 0.719999 -0.647225
C 0.015399 -0.624523 0.984053
H 4.794694 -1.569456 1.064911
H 2.474273 1.300032 -1.266418
H 2.321542 -1.355174 1.323150
H 6.902820 -0.545709 0.205958
H 4.584296 2.264957 -2.162664
H 6.816809 1.364483 -1.434254
H -2.691454 0.623115 -1.543490
H -4.530382 -0.490182 2.216788
H 0.835206 -0.260470 -0.910166
H -4.957516 1.241731 -2.475240
H -6.813973 0.123941 1.297394
H -7.007444 0.989753 -1.053589


