%chk=000152799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152799

0 1
 O   -4.999700     -0.4453000     -0.3562000    
 O   -3.857400      -1.274400       1.481800    
 N   -4.231900      0.7127000     -0.2306000    
 N    1.355100      0.6178000     -0.5788000    
 N    1.842100      0.1330000      0.4695000    
 C   -2.834400      0.6890000     -0.3175000    
 C   -2.079300       1.780900      0.1264000    
 C   -2.177600     -0.4269000     -0.8494000    
 C  -4.0399998E-02  0.6415000     -0.4916000    
 C  -0.6873000       1.757300      3.9600000E-02
 C  -0.7856000     -0.4505000     -0.9362000    
 C    5.276700      -1.029800     -0.2368000    
 C    3.244500      0.1091000      0.3813000    
 C    3.884700      -1.006500     -0.1496000    
 C    6.021700      6.2600002E-02  0.2073000    
 C   -5.004200       1.940300     -0.3120000    
 C    3.982800       1.201700      0.8256000    
 C    5.374800       1.178400      0.7384000    
 C    5.969100      -2.222500     -0.8046000    
 C   -4.695900      -1.379400      0.5966000    
 C   -5.557900      -2.589000      0.3968000    
 H   -2.550600       2.661800      0.5532000    
 H   -2.725600      -1.283700      -1.232200    
 H  -0.1150000       2.612500      0.3898000    
 H  -0.2907000      -1.321500      -1.358100    
 H    3.300800      -1.857400     -0.4924000    
 H   -4.840200       2.566800      0.5705000    
 H   -6.077500       1.724800     -0.3581000    
 H   -4.741000       2.507500      -1.211000    
 H    7.106800      5.5700000E-02  0.1465000    
 H    3.486900       2.074600       1.241600    
 H    5.954800       2.028800       1.084800    
 H    6.184500      -2.944900     -1.1100000E-02
 H    5.352500      -2.711300      -1.566700    
 H    6.911000      -1.940700      -1.287600    
 H   -5.322200      -3.332700       1.163400    
 H   -6.611300      -2.313700      0.4918000    
 H   -5.360500      -3.026300     -0.5852000    


%chk=000152799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000152799

0 1
O -4.811389 -0.687282 0.263268
O -6.355616 0.826380 1.214610
N -4.174062 0.474034 -0.418980
N 1.497333 0.147712 -0.453323
N 2.092601 -0.483094 0.532344
C -2.769703 0.317240 -0.438621
C -1.993745 0.897569 -1.485553
C -2.099822 -0.350356 0.634784
C 0.075753 0.161009 -0.378484
C -0.591843 0.823101 -1.441896
C -0.704141 -0.429972 0.660998
C 5.696974 0.066804 -0.559836
C 3.523450 -0.489613 0.455782
C 4.288523 0.128766 -0.575121
C 6.340825 -0.628167 0.505051
C -4.933354 0.859622 -1.620037
C 4.179157 -1.176082 1.510020
C 5.588207 -1.242920 1.529651
C 6.524023 0.729810 -1.648939
C -5.910995 -0.327279 1.106902
C -6.429713 -1.587043 1.766185
H -2.475930 1.402996 -2.326269
H -2.693652 -0.804167 1.431819
H 0.017199 1.266531 -2.236563
H -0.183683 -0.939977 1.477299
H 3.753569 0.651062 -1.375064
H -4.583126 1.853969 -1.942837
H -5.993289 0.962016 -1.345721
H -4.821121 0.136667 -2.453559
H 7.436590 -0.683216 0.525070
H 3.567212 -1.641755 2.289378
H 6.099374 -1.772766 2.340989
H 7.207871 0.006369 -2.131123
H 5.882894 1.164945 -2.434148
H 7.149800 1.543622 -1.235783
H -6.625846 -1.379787 2.830949
H -7.388777 -1.876073 1.300179
H -5.718950 -2.420375 1.665778


