%chk=000127738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127738

0 1
 I    3.667600      -1.402800      -1.939700    
 I   0.2510000      -3.622500      0.4944000    
 O   -3.887300      0.4150000     -0.9842000    
 O   -3.535100       2.396600      4.5200001E-02
 O    4.586300      0.1247000      0.7982000    
 O   -2.477300      -1.578600       1.580500    
 N   -1.569300     -0.5977000     -0.3201000    
 C   -1.741300      0.7745000      8.6900003E-02
 C  -0.6718000       1.676300     -0.5430000    
 C   0.7350000       1.253700     -0.1942000    
 C    1.395800      0.3505000      -1.011400    
 C    1.339900       1.777600      0.9373000    
 C   -3.129000       1.284000     -0.2735000    
 C    2.695800     -3.9000001E-02 -0.6888000    
 C    2.639700       1.388100       1.259900    
 C   -1.956300      -1.670000      0.4702000    
 C    3.317600      0.4797000      0.4468000    
 C   -1.661400      -3.010200     -0.1647000    
 H   -1.671100      0.8078000       1.181500    
 H  -0.7847000       1.689100      -1.636400    
 H  -0.8254000       2.718200     -0.2313000    
 H   -1.235700     -0.7792000      -1.262200    
 H   0.9052000     -4.1900001E-02  -1.898400    
 H   0.8188000       2.483700       1.577500    
 H    3.117400       1.795900       2.146800    
 H   -1.704400      -2.934500      -1.256000    
 H   -2.439500      -3.716700      0.1425000    
 H   -4.770000      0.7867000      -1.196100    
 H    4.918200     -0.5085000      0.1383000    


%chk=000127738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127738

0 1
I 3.845822 -1.482846 -1.684180
I -1.869000 -3.569772 -1.971296
O -3.819176 0.693542 -1.516010
O -3.688196 2.494427 -0.047797
O 4.423838 -0.027226 1.270210
O -0.985424 -1.249767 1.689082
N -1.782355 -0.600526 -0.406939
C -1.881598 0.817247 -0.059200
C -0.722485 1.680876 -0.689881
C 0.647367 1.241398 -0.208114
C 1.422499 0.335853 -0.972493
C 1.166969 1.696964 1.031669
C -3.212111 1.429388 -0.488017
C 2.677202 -0.101203 -0.501826
C 2.418215 1.264699 1.499108
C -1.330751 -1.528327 0.497893
C 3.193992 0.354044 0.738771
C -1.219011 -2.995548 0.082883
H -1.808123 0.892493 1.040848
H -0.794778 1.605157 -1.790978
H -0.916256 2.733739 -0.413376
H -2.118818 -0.905708 -1.325479
H 1.045924 -0.024820 -1.934778
H 0.583576 2.396715 1.641307
H 2.827293 1.608115 2.453500
H -1.827759 -3.613510 0.759488
H -0.165458 -3.308036 0.143231
H -4.663785 1.137116 -1.798547
H 4.881085 -0.673980 0.666919


