%chk=000117822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117822

0 1
 O    5.255900       1.541300      0.1159000    
 O   -2.013600       1.318000     -0.6669000    
 O   -4.262000       1.142100       1.187200    
 N    2.902800       1.413200     -0.1385000    
 N    4.059000     -0.4986000      0.2763000    
 N   -1.410700     -0.9261000     -0.2929000    
 C    1.997400      0.3533000     -8.7099999E-02
 C    2.705500     -0.8175000      0.1669000    
 C  -2.4100000E-02 -0.8688000     -0.1408000    
 C   0.6302000      0.3626000     -0.2463000    
 C    2.083900      -2.040800      0.2750000    
 C   0.6945000      -2.057000      0.1169000    
 C    4.212900      0.9040000      8.7800004E-02
 C   -2.295900      0.1283000     -0.5502000    
 C   -3.739500     -0.3267000     -0.6506000    
 C   -4.667000      0.3572000      0.3309000    
 C   -6.129300      1.5500000E-02  0.2164000    
 H   0.1543000       1.310300     -0.4425000    
 H    2.635900      -2.951800      0.4727000    
 H    2.655400       2.380200     -0.3089000    
 H   0.1693000      -3.006600      0.1960000    
 H    4.799200      -1.164700      0.4601000    
 H   -1.812400      -1.857000     -0.2073000    
 H   -3.823800      -1.406600     -0.4926000    
 H   -4.080700     -0.1019000      -1.667100    
 H   -6.492600      0.2884000     -0.7774000    
 H   -6.698400      0.5733000      0.9653000    
 H   -6.270000      -1.054200      0.3895000    


%chk=000117822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117822

0 1
O 5.523918 1.158642 -0.464760
O -1.901895 1.312431 -1.604573
O -3.848612 -1.603647 0.878289
N 3.142351 1.148972 -0.802602
N 4.010020 -0.431434 0.515682
N -1.557696 -0.551624 -0.202376
C 2.064879 0.359373 -0.362540
C 2.620404 -0.652050 0.480996
C -0.146045 -0.527828 -0.011247
C 0.690332 0.446483 -0.625530
C 1.790703 -1.610154 1.085563
C 0.403000 -1.537334 0.831044
C 4.373944 0.686714 -0.275406
C -2.332023 0.316192 -0.944467
C -3.843972 -0.019004 -0.989563
C -4.483130 -0.744070 0.196323
C -5.924175 -0.396694 0.512168
H 0.252626 1.215169 -1.264805
H 2.193981 -2.392328 1.735923
H 3.093081 1.957357 -1.418181
H -0.266071 -2.272254 1.293082
H 4.704614 -0.972170 1.025032
H -2.094260 -1.274615 0.310827
H -4.002377 -0.661965 -1.882641
H -4.373576 0.924886 -1.200342
H -5.972032 0.626337 0.934286
H -6.341069 -1.105812 1.243188
H -6.540720 -0.390175 -0.405570


