%chk=000068713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068713

0 1
 O    4.746800     -3.5100002E-02  7.5700000E-02
 N  -0.6218000       1.074700     -0.1321000    
 N   -3.414700      0.6088000      8.6400002E-02
 N   -2.894000      -1.725200     -0.1371000    
 C   -1.136700     -0.1784000     -5.7100002E-02
 C  -0.1238000      -1.083700      5.7999998E-02
 C   -1.512900       2.215100     -0.2456000    
 C   0.7495000       1.014400     -0.1082000    
 C    1.092600     -0.3483000      1.7600000E-02
 C   -2.541100     -0.4777000     -4.2399999E-02
 C   -2.874900       1.943800      0.4288000    
 C  -0.4750000      -2.508800      0.2238000    
 C   -1.865200      -2.771000     -0.3949000    
 C    2.455300     -0.7005000      8.3899997E-02
 C    1.721000       2.021900     -0.1805000    
 C   -4.851900      0.4274000      0.2180000    
 C    3.427800      0.3027000      1.3500000E-02
 C    3.064500       1.640900     -0.1179000    
 C    5.054500      -1.420900      0.2101000    
 H   -1.644300       2.396500      -1.318400    
 H   -1.029800       3.085700      0.2083000    
 H   -2.758700       1.993200       1.518700    
 H   -3.577200       2.732700      0.1367000    
 H   0.2705000      -3.163000     -0.2401000    
 H  -0.5046000      -2.743800       1.294700    
 H   -1.769200      -2.877300      -1.483000    
 H   -2.245800      -3.727000     -1.8200001E-02
 H    2.680000      -1.755300      0.1861000    
 H    1.447100       3.067000     -0.2800000    
 H   -5.393000       1.348300     -2.2200000E-02
 H   -5.102000      0.1359000       1.242900    
 H   -5.212600     -0.3486000     -0.4650000    
 H    3.833300       2.408400     -0.1714000    
 H    4.674400      -1.829000       1.153000    
 H    6.145600      -1.507300      0.2433000    
 H    4.716200      -1.995500     -0.6588000    


%chk=000068713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068713

0 1
O 4.835364 0.008797 0.081186
N -0.642881 1.126200 -0.125769
N -3.441385 0.636231 0.045043
N -3.027877 -1.721715 -0.106334
C -1.164161 -0.166560 -0.058772
C -0.149738 -1.116291 0.035689
C -1.548958 2.270736 -0.263432
C 0.755629 1.025743 -0.101132
C 1.093764 -0.380025 0.016572
C -2.588015 -0.476058 -0.034430
C -2.872452 1.934446 0.471476
C -0.560514 -2.560074 0.211621
C -1.993681 -2.765355 -0.391883
C 2.462829 -0.765821 0.084412
C 1.751541 2.026025 -0.161817
C -4.888197 0.432298 0.188037
C 3.444883 0.242585 0.026771
C 3.095192 1.624244 -0.096049
C 5.272461 -1.379597 0.208493
H -1.750523 2.481112 -1.332835
H -1.094758 3.169744 0.190886
H -2.690725 1.949914 1.569750
H -3.612710 2.722367 0.243211
H 0.135067 -3.260301 -0.289650
H -0.558424 -2.826323 1.289857
H -1.895552 -2.839673 -1.497655
H -2.400860 -3.730213 -0.040745
H 2.728424 -1.822813 0.177171
H 1.498050 3.086953 -0.260738
H -5.441852 1.188038 -0.399297
H -5.215594 0.493275 1.247580
H -5.122657 -0.577641 -0.183485
H 3.908387 2.354879 -0.138593
H 4.896665 -1.837638 1.145240
H 6.371585 -1.337409 0.232315
H 4.941572 -1.989079 -0.656094


