%chk=000061214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061214

0 1
 O   -3.565100      0.2438000      1.1800000E-02
 O    5.638200      -1.959700      0.9434000    
 O    5.938300       1.948700     -0.9452000    
 O   -7.028400      0.7163000      0.1192000    
 O   -5.357600       2.130800      0.2810000    
 N    4.821500      8.1400000E-02  2.2200000E-02
 N    2.848800       1.329100      0.2723000    
 N    2.756100      -1.016200     -0.2122000    
 N    1.407200     -0.9852000     -0.2103000    
 N   -5.783300      0.9473000      0.1325000    
 C    3.428000      0.1357000      2.7799999E-02
 C    5.536400      -1.166600     -0.2330000    
 C    5.634400       1.271000      0.2682000    
 C   -2.874000     -0.9036000     -0.1461000    
 C   0.7865000      0.1843000      2.8999999E-02
 C   -1.440600     -0.9155000     -0.1668000    
 C  -0.6629000      0.1814000      2.1600001E-02
 C   -3.699300      -1.981400     -0.2754000    
 C    1.507200       1.326300      0.2672000    
 C   -4.878000     -0.1051000     -1.6300000E-02
 C   -5.013400      -1.462800     -0.1909000    
 H    5.051100      -1.760900      -1.015000    
 H    6.554300     -0.9664000     -0.5872000    
 H    6.583300      0.9870000      0.7382000    
 H    5.144600       1.971700      0.9536000    
 H  -0.9724000      -1.883200     -0.3324000    
 H   -1.137500       1.145100      0.1948000    
 H   -3.412700      -3.014700     -0.4134000    
 H    1.040800       2.285000      0.4633000    
 H   -5.940200      -2.016000     -0.2505000    
 H    5.969400      -1.375800       1.646500    
 H    6.490800       2.714600     -0.7135000    


%chk=000061214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061214

0 1
O -3.498702 0.290217 0.003427
O 5.977858 -1.935562 1.107954
O 5.506207 2.296372 -0.623036
O -7.056720 0.718452 0.096434
O -5.349832 2.249299 0.325183
N 4.922897 0.022937 0.074701
N 2.971434 1.342697 0.162230
N 2.844544 -1.087459 -0.244567
N 1.496644 -1.035068 -0.271471
N -5.799113 1.049703 0.139821
C 3.551085 0.092628 0.008888
C 5.647403 -1.241568 -0.134175
C 5.668805 1.273633 0.382997
C -2.816567 -0.936885 -0.193670
C 0.847804 0.177604 -0.040303
C -1.381741 -0.930967 -0.203849
C -0.607152 0.192904 -0.030548
C -3.764583 -1.965535 -0.347781
C 1.619694 1.360985 0.148163
C -4.861964 -0.018889 -0.034599
C -5.064669 -1.381145 -0.246719
H 4.991070 -1.935697 -0.673502
H 6.556259 -1.010792 -0.723660
H 6.741709 1.024846 0.398488
H 5.344835 1.638119 1.378069
H -0.886966 -1.895677 -0.361765
H -1.092736 1.163930 0.129902
H -3.531417 -3.015331 -0.513579
H 1.137457 2.337361 0.271150
H -6.031740 -1.871652 -0.316686
H 6.731240 -1.484759 1.567217
H 4.558453 2.601698 -0.550315


