%chk=000147133.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147133

0 1
 O    3.237700      0.8153000      0.2726000    
 O  -0.6460000       2.072600      0.1290000    
 O    1.488000       2.572200      0.2539000    
 N  -0.9846000      -2.669000     -7.8900002E-02
 N   0.5606000       1.730900      0.1739000    
 N   -4.711400       1.599500     -0.1259000    
 C  -0.1461000     -0.6053000      4.4300001E-02
 C   -1.565300     -0.5274000     -2.4100000E-02
 C   0.1921000      -1.959900      8.2000000E-03
 C   -2.396800      0.6943000     -1.7100001E-02
 C   0.8864000      0.3492000      0.1336000    
 C   -2.052200      -1.811900     -9.8999999E-02
 C    1.516400      -2.409200      5.7300001E-02
 C   -3.903300      0.3848000     -0.1040000    
 C    2.215700     -8.5500002E-02  0.1833000    
 C    2.523600      -1.444000      0.1457000    
 C    3.785300       1.293500     -0.9529000    
 H   -2.313100       1.216400      0.9442000    
 H   -2.215900       1.286700     -0.9228000    
 H   -3.054200      -2.212500     -0.1640000    
 H   -1.050000      -3.676700     -0.1215000    
 H    1.757100      -3.466500      2.8200001E-02
 H   -4.219600     -0.2200000      0.7542000    
 H   -4.126300     -0.1890000      -1.011800    
 H    3.561200      -1.767900      0.1864000    
 H   -5.693000       1.350800     -0.2413000    
 H   -4.461600       2.162900     -0.9375000    
 H    4.340400       2.212900     -0.7472000    
 H    3.009400       1.508200      -1.695400    
 H    4.480100      0.5507000      -1.357100    


%chk=000147133-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147133

0 1
O 3.237131 0.907328 0.286500
O -0.239093 2.204802 1.112150
O 1.102922 2.576844 -0.695320
N -0.965459 -2.755582 -0.016924
N 0.554601 1.796701 0.178167
N -4.814333 1.588752 -0.221562
C -0.191511 -0.608277 0.075501
C -1.645428 -0.561378 0.017421
C 0.204506 -1.996437 0.040325
C -2.541421 0.654952 0.002167
C 0.857026 0.356269 0.106667
C -2.068026 -1.894417 -0.033948
C 1.550388 -2.416671 0.051857
C -4.032125 0.339920 -0.240973
C 2.215357 -0.045043 0.109763
C 2.549918 -1.428029 0.089045
C 3.964486 1.295343 -0.942791
H -2.450139 1.212817 0.952133
H -2.194657 1.358695 -0.783776
H -3.080603 -2.288725 -0.083302
H -1.007139 -3.770898 -0.061385
H 1.817276 -3.478809 0.044008
H -4.405686 -0.306267 0.577971
H -4.129907 -0.245664 -1.190125
H 3.608382 -1.700520 0.143547
H -5.830064 1.463283 -0.233387
H -4.500233 2.292582 -0.896751
H 4.753383 1.984549 -0.606747
H 3.277082 1.810381 -1.636392
H 4.417968 0.409601 -1.429538


