%chk=000060961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060961

0 1
 O    1.999800     -0.5205000     -0.9524000    
 O    1.208500       2.265200       1.177000    
 O    3.401200       2.135500     -0.4232000    
 O    3.789100      -2.603100     -0.3835000    
 N  -0.2134000     -0.2591000     -0.1379000    
 N   -1.639700      -1.891300      0.3913000    
 N   -1.785300       1.546600     -0.5513000    
 N   -4.089000      0.8118000     -0.2214000    
 N   -4.643800      -1.423400      0.4295000    
 C    1.717000      0.9876000      0.8516000    
 C    1.057500      0.4149000     -0.3937000    
 C    3.174200       1.017200      0.4346000    
 C    3.304500     -0.2641000     -0.3829000    
 C    3.705400      -1.467200      0.4592000    
 C   -1.463900      0.2870000     -0.2203000    
 C  -0.3728000      -1.569500      0.2323000    
 C   -2.332600     -0.7403000      0.1117000    
 C   -3.691500     -0.4420000      0.1040000    
 C   -3.125300       1.714800     -0.5244000    
 H    1.580900      0.3255000       1.714600    
 H   0.8615000       1.183300      -1.151700    
 H    3.866200       1.095800       1.277900    
 H    3.996800     -0.1521000      -1.225200    
 H    2.971000      -1.686400       1.240400    
 H    4.681900      -1.312600      0.9273000    
 H    1.381100       2.857900      0.4257000    
 H    4.330100       2.098000     -0.7086000    
 H   0.4627000      -2.240800      0.3766000    
 H    2.916900      -2.727500     -0.7954000    
 H   -3.479200       2.707800     -0.7798000    
 H   -4.349800      -2.359600      0.6729000    
 H   -5.625400      -1.182000      0.4170000    


%chk=000060961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060961

0 1
O 1.865580 -0.492979 -0.869824
O 1.433898 2.112552 1.723564
O 3.335649 2.272870 -0.113699
O 3.684682 -2.602351 -0.952019
N -0.255551 -0.194631 0.189067
N -1.777240 -1.693139 1.033251
N -1.809621 1.303225 -1.047697
N -4.152972 0.584286 -0.826229
N -4.804094 -1.313643 0.423143
C 1.854167 0.878140 1.110670
C 0.999753 0.455916 -0.122928
C 3.281985 0.938436 0.506018
C 3.298793 -0.206089 -0.528839
C 3.896838 -1.520380 0.002466
C -1.515215 0.228472 -0.265524
C -0.480583 -1.352019 0.959061
C -2.437483 -0.705981 0.273110
C -3.812466 -0.490211 -0.037120
C -3.153913 1.402301 -1.280001
H 1.797540 0.105129 1.895652
H 0.759181 1.334475 -0.750949
H 4.071653 0.831582 1.274998
H 3.804090 0.090221 -1.467055
H 3.449999 -1.764363 0.992648
H 4.991507 -1.433927 0.117827
H 1.789215 2.851938 1.158813
H 4.234140 2.460082 -0.477843
H 0.331482 -1.913780 1.414426
H 2.727862 -2.576502 -1.219228
H -3.475034 2.241501 -1.903877
H -4.569933 -2.112367 1.008656
H -5.769308 -1.111365 0.171360


