%chk=000031593.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031593

0 1
 O   0.3274000      -1.895700     -0.9419000    
 O    2.327000       2.857500      0.8236000    
 O   0.6654000       1.423100      0.8377000    
 N    2.587500     -0.6047000      0.2034000    
 N  -0.7893000      -1.611800       1.075500    
 N    3.706500       1.013700     -0.7951000    
 N    1.870200       1.704500      0.5755000    
 C    1.587700      -1.277300       1.027200    
 C   -2.114600      -1.912300      0.5966000    
 C   0.3331000      -1.628900      0.2567000    
 C   -2.831500     -0.6973000      0.1123000    
 C    2.703300      0.7341000      7.0000002E-03
 C    3.562300      -1.229700     -0.5052000    
 C   -3.608800      5.2099999E-02  0.9954000    
 C   -2.724800     -0.3104000      -1.223600    
 C    4.245900     -0.2062000      -1.118500    
 C   -4.279400       1.188200      0.5427000    
 C   -3.395300      0.8259000      -1.676300    
 C   -4.172700       1.575300     -0.7932000    
 H    2.036900      -2.214400       1.378400    
 H    1.392000     -0.6688000       1.914400    
 H   -2.662700      -2.380300       1.422500    
 H   -2.051300      -2.662700     -0.2007000    
 H  -0.6876000      -1.368200       2.056500    
 H    3.688700      -2.303300     -0.5211000    
 H   -3.698600     -0.2376000       2.039100    
 H   -2.125600     -0.8856000      -1.924000    
 H    5.098700     -0.2858000      -1.776800    
 H   -4.884200       1.772200       1.230300    
 H   -3.312700       1.127000      -2.716500    
 H   -4.694700       2.460000      -1.145600    


%chk=000031593-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031593

0 1
O 0.184331 -3.063705 -0.254854
O 2.042710 2.575255 1.993881
O 1.082548 0.568046 2.520601
N 2.299845 -0.600964 0.219726
N -0.597754 -1.479123 1.285351
N 2.819181 1.512531 -0.495383
N 1.789862 1.348178 1.731109
C 1.831949 -1.761858 1.012138
C -2.036191 -1.689760 1.007185
C 0.385206 -2.166657 0.621640
C -2.636061 -0.596638 0.126956
C 2.296304 0.775714 0.509649
C 2.849191 -0.713422 -1.051598
C -3.517758 0.370238 0.668730
C -2.305888 -0.534724 -1.252244
C 3.160557 0.593557 -1.473789
C -4.059356 1.388268 -0.150188
C -2.845283 0.480784 -2.070937
C -3.723209 1.446038 -1.521626
H 2.480740 -2.618026 0.772119
H 1.909936 -1.517859 2.080845
H -2.569356 -1.740474 1.973710
H -2.114338 -2.673894 0.513081
H -0.307934 -0.703184 1.897424
H 2.960378 -1.680703 -1.535285
H -3.781974 0.328743 1.733108
H -1.631578 -1.288488 -1.676730
H 3.601226 0.909939 -2.415601
H -4.739458 2.131884 0.279932
H -2.587143 0.518843 -3.135186
H -4.141884 2.234061 -2.157463


