%chk=000171798.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171798

0 1
 O    1.999700     -0.5206000     -0.9524000    
 O    1.208900       2.265300       1.177000    
 O    3.401300       2.135300     -0.4236000    
 O    3.789000      -2.603300     -0.3836000    
 N  -0.2134000     -0.2590000     -0.1376000    
 N   -1.639700      -1.891100      0.3918000    
 N   -1.785200       1.546600     -0.5512000    
 N   -4.089000      0.8118000     -0.2213000    
 N   -4.644200      -1.423400      0.4280000    
 C    1.717200      0.9877000      0.8515000    
 C    1.057500      0.4149000     -0.3936000    
 C    3.174400       1.017100      0.4343000    
 C    3.304500     -0.2643000     -0.3831000    
 C    3.705500      -1.467300      0.4590000    
 C   -1.463900      0.2869000     -0.2200000    
 C  -0.3728000      -1.569400      0.2328000    
 C   -2.332700     -0.7402000      0.1119000    
 C   -3.691600     -0.4420000      0.1043000    
 C   -3.125300       1.714800     -0.5243000    
 H    1.581200      0.3257000       1.714600    
 H   0.8615000       1.183300      -1.151600    
 H    3.866500       1.095800       1.277600    
 H    3.996600     -0.1523000      -1.225300    
 H    2.971100      -1.686400       1.240400    
 H    4.682100      -1.312700      0.9271000    
 H    1.381400       2.857900      0.4257000    
 H    4.330200       2.097900     -0.7090000    
 H   0.4627000      -2.240700      0.3772000    
 H    2.916700      -2.727700     -0.7953000    
 H   -3.479200       2.707900     -0.7800000    
 H   -4.350600      -2.360000      0.6705000    
 H   -5.625800      -1.182100      0.4143000    


%chk=000171798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171798

0 1
O 1.865651 -0.493047 -0.869913
O 1.433804 2.112498 1.723435
O 3.335713 2.272766 -0.113663
O 3.684767 -2.602450 -0.951994
N -0.255563 -0.194672 0.188806
N -1.777345 -1.693184 1.032823
N -1.809519 1.303312 -1.047946
N -4.152907 0.584434 -0.826640
N -4.804156 -1.313563 0.422558
C 1.854098 0.878071 1.110584
C 0.999779 0.455859 -0.123087
C 3.281970 0.938332 0.506049
C 3.298843 -0.206191 -0.528806
C 3.896825 -1.520494 0.002536
C -1.515190 0.228499 -0.265819
C -0.480672 -1.352098 0.958724
C -2.437517 -0.705955 0.272708
C -3.812478 -0.490125 -0.037581
C -3.153797 1.402446 -1.280306
H 1.797383 0.105060 1.895561
H 0.759281 1.334424 -0.751130
H 4.071570 0.831462 1.275097
H 3.804224 0.090114 -1.466979
H 3.449884 -1.764496 0.992667
H 4.991482 -1.434045 0.118016
H 1.789161 2.851879 1.158701
H 4.234250 2.459979 -0.477695
H 0.331353 -1.913908 1.414097
H 2.727972 -2.576615 -1.219295
H -3.474859 2.241693 -1.904151
H -4.570058 -2.112341 1.008023
H -5.769348 -1.111246 0.170720


