%chk=000096155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096155

0 1
 O    3.089800      0.9964000     -0.3965000    
 O    1.425900       1.128900       1.144900    
 O  -0.1218000      -2.537700      0.6654000    
 N  -0.1755000     -0.5917000     -0.1463000    
 N  -0.5232000      -1.858300     -0.2870000    
 C   -1.159200      0.3641000     -0.6410000    
 C   -2.247800      0.5932000      0.4044000    
 C    1.134100     -0.3225000     -0.7573000    
 C   -3.299400       1.571400     -9.6100003E-02
 C    1.877100      0.6563000      0.1094000    
 H  -0.6938000       1.341600     -0.8304000    
 H   -1.593900      4.3499999E-02  -1.598300    
 H   -2.745500     -0.3507000      0.6576000    
 H   -1.806000      0.9841000       1.329200    
 H    1.050600      6.3500002E-02  -1.780700    
 H    1.763500      -1.223500     -0.7866000    
 H   -2.853300       2.544400     -0.3255000    
 H   -3.787200       1.194400      -1.000800    
 H   -4.069500       1.722900      0.6668000    
 H    3.552900       1.649100      0.1709000    


%chk=000096155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096155

0 1
O 2.926572 1.165616 -0.195308
O 1.107012 1.150059 1.255272
O 0.269720 -2.813539 0.076577
N -0.228565 -0.707591 -0.562591
N -0.664597 -1.967975 -0.182724
C -1.310582 0.260706 -0.866356
C -2.108799 0.700444 0.382752
C 1.199380 -0.398873 -0.692976
C -3.214922 1.709452 0.010818
C 1.679522 0.701463 0.242200
H -0.840245 1.137458 -1.347332
H -1.992393 -0.202734 -1.604054
H -2.551533 -0.200539 0.846235
H -1.411070 1.137687 1.118426
H 1.463967 -0.129021 -1.731107
H 1.734544 -1.341719 -0.443299
H -2.790268 2.631249 -0.430275
H -3.927282 1.280522 -0.719429
H -3.790238 2.003413 0.906496
H 3.267578 1.853321 0.438774


