%chk=000097528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097528

0 1
 O   -1.689400     -0.5011000       1.087400    
 O   -2.215200       2.392400     -0.9628000    
 O   -4.182400      0.8759000      0.1605000    
 O   -1.684800      -3.159900      0.1935000    
 O    4.550800      0.5678000     -0.3529000    
 N   0.1326000      0.9293000      0.5848000    
 N   0.7874000       2.165900      0.4438000    
 N    2.135000       1.948400      0.2106000    
 N    1.009200      -1.321300      0.1442000    
 N    3.380100      -1.434700     -0.3598000    
 C   -1.932600       1.032300     -0.7018000    
 C   -1.301700      0.8190000      0.6651000    
 C   -3.190000      0.1944000     -0.6062000    
 C   -2.713500      -1.003700      0.2023000    
 C   -2.102200      -2.104400     -0.6544000    
 C    1.021500     -4.4399999E-02  0.2806000    
 C    2.281700      0.6728000      7.5199999E-02
 C    3.515500     -7.1099997E-02 -0.2326000    
 C    2.197900      -1.957800     -0.1775000    
 H   -1.294000      0.6498000      -1.507600    
 H   -1.681500       1.533300       1.405500    
 H   -3.630400     -5.4600000E-02  -1.575100    
 H   -3.503700      -1.420000      0.8375000    
 H   -1.233600      -1.754900      -1.218400    
 H   -2.842800      -2.497700      -1.358000    
 H   -1.375000       2.879200     -0.9087000    
 H   -3.846300       1.015400       1.061500    
 H   0.6768000       2.723100       1.289700    
 H   -1.302900      -3.850300     -0.3749000    
 H    2.118600      -3.051900     -0.2886000    


%chk=000097528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097528

0 1
O -2.012268 0.562730 1.353947
O -1.789379 1.198996 -2.160717
O -4.098073 0.999609 -0.760234
O -1.639285 -1.860928 2.347502
O 4.663207 -0.920354 0.011139
N 0.188521 0.346558 0.467944
N 0.581782 -0.455238 1.542307
N 1.865700 -0.866060 1.409387
N 1.274326 1.102986 -1.573685
N 3.642111 0.372799 -1.689401
C -1.754326 0.269785 -1.057544
C -1.161334 0.906452 0.243686
C -3.193765 -0.125359 -0.621017
C -3.012560 -0.439942 0.883174
C -2.495801 -1.880907 1.139151
C 1.264484 0.465789 -0.380352
C 2.325864 -0.279872 0.250592
C 3.643133 -0.328042 -0.435040
C 2.552304 0.992596 -2.153723
H -1.171637 -0.635860 -1.320024
H -1.076844 2.004301 0.163660
H -3.560645 -1.001850 -1.194867
H -3.925415 -0.226712 1.458202
H -1.900478 -2.260399 0.283341
H -3.358970 -2.555613 1.290062
H -0.835312 1.431387 -2.373720
H -3.783123 1.540735 -1.534762
H -0.164412 -0.926506 2.120408
H -1.628914 -2.748879 2.780355
H 2.646211 1.488996 -3.126874


