%chk=000171237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171237

0 1
 O    3.795000     -0.4970000     -1.6100001E-02
 O    1.338300       1.015600      -1.424300    
 O    3.872300       1.807800     -0.2800000    
 N   -5.456400      0.8140000      9.6199997E-02
 N   -5.109800      -1.355200     -0.7010000    
 C  -0.4456000      1.0600000E-02  0.5542000    
 C    1.034300      0.1032000      0.8193000    
 C   -1.261200       1.092400      0.8533000    
 C  -0.9712000      -1.154400      1.4200000E-02
 C   -3.171600     -0.1583000      6.4400002E-02
 C   -2.631600       1.007600      0.6071000    
 C   -2.341500      -1.239300     -0.2321000    
 C    1.807400      0.6438000     -0.3589000    
 C   -4.600700     -0.2479000     -0.1907000    
 C    3.297600      0.7399000     -0.1972000    
 C    5.219200     -0.5691000      9.6500002E-02
 C    5.625600      -2.013700      0.2952000    
 H    1.219200      0.7543000       1.682100    
 H    1.421500     -0.8898000       1.075700    
 H  -0.8492000       2.005300       1.274100    
 H  -0.3325000      -2.000700     -0.2222000    
 H   -3.230900       1.876500      0.8556000    
 H   -2.729200      -2.161800     -0.6558000    
 H    5.678500     -0.1775000     -0.8180000    
 H    5.548800      2.9600000E-02  0.9531000    
 H    6.711600      -2.105700      0.3857000    
 H    5.159400      -2.424600       1.196800    
 H    5.287500      -2.628300     -0.5456000    
 H   -6.451100      0.7319000     -8.7700002E-02
 H   -5.150300       1.695900      0.4879000    
 H   -6.122400      -1.226200     -0.8048000    


%chk=000171237-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171237

0 1
O 3.839806 -0.312444 0.165944
O 1.266202 1.999272 -0.734432
O 4.120103 1.855071 -0.657198
N -5.421533 0.982700 0.041123
N -5.347641 -1.430840 -0.153251
C -0.417203 -0.183939 0.270029
C 1.096290 -0.203771 0.370889
C -1.178081 0.901481 0.770684
C -1.106979 -1.282527 -0.303999
C -3.271530 -0.203763 0.104305
C -2.585851 0.892348 0.690303
C -2.512946 -1.296327 -0.384636
C 1.822082 0.985730 -0.259774
C -4.766844 -0.253875 -0.013246
C 3.380515 0.923447 -0.283717
C 5.331613 -0.493024 0.184044
C 5.601760 -1.912021 0.668712
H 1.426433 -0.237860 1.432078
H 1.517151 -1.126557 -0.069671
H -0.669753 1.760735 1.220632
H -0.536431 -2.134527 -0.693822
H -3.143282 1.730066 1.125739
H -3.056431 -2.142983 -0.814411
H 5.707033 -0.309038 -0.838603
H 5.756481 0.277350 0.852517
H 6.691945 -2.090086 0.702798
H 5.194184 -2.070071 1.681669
H 5.151477 -2.655690 -0.010433
H -6.437904 1.023604 0.006008
H -4.907902 1.857888 -0.033684
H -6.381763 -1.371449 -0.259601


