%chk=000048721.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048721

0 1
 O  -3.8500000E-02 -0.3530000       1.931700    
 O   0.5020000      0.8078000      -2.586100    
 O    3.766500       1.769500      0.4918000    
 N    1.903800      0.6184000       1.192400    
 N    2.173400       1.198900      -1.064300    
 C   0.3682000     -0.3485000     -0.4588000    
 C   -1.154600     -0.3920000     -0.6522000    
 C   -1.857700      0.9638000     -0.4175000    
 C   0.9573000      -1.741100     -0.7464000    
 C   -3.357800      0.8118000     -0.7551000    
 C   -1.599800       1.556000      0.9850000    
 C   0.6883000     -1.9800000E-02  0.9960000    
 C   0.9831000      0.6140000      -1.470000    
 C   0.3274000      -2.809500      0.1022000    
 C   -4.104600     -0.1491000      0.1588000    
 C   -2.227800       2.919800       1.236400    
 C    2.697700       1.218700      0.2226000    
 C  -0.8658000      -3.524000     -0.4641000    
 C   0.8390000      -3.141500       1.297700    
 H   -1.596800      -1.077700      7.4400000E-02
 H   -1.401300     -0.7501000      -1.660100    
 H   -1.465000       1.686900      -1.143900    
 H    2.044100      -1.735600     -0.5791000    
 H   0.8394000      -2.002700      -1.807000    
 H   -3.846400       1.792000     -0.7173000    
 H   -3.464200      0.4659000      -1.791000    
 H  -0.5469000       1.800500       1.101900    
 H   -1.941300      0.8835000       1.776100    
 H   -3.756100      -1.179400      4.8700001E-02
 H   -5.169100     -0.1448000     -0.1003000    
 H   -4.025900      0.1393000       1.210400    
 H   -1.949200       3.632500      0.4535000    
 H   -1.891000       3.322100       2.197700    
 H   -3.319300       2.855400       1.271900    
 H    2.208200      0.7283000       2.155700    
 H    2.676800       1.736600      -1.764400    
 H   -1.374500      -4.122900      0.2996000    
 H   -1.617600      -2.878000     -0.9138000    
 H  -0.5307000      -4.212500      -1.248400    
 H    1.720500      -2.650200       1.696100    
 H   0.3942000      -3.924700       1.902500    


%chk=000048721-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048721

0 1
O -0.079759 -0.896854 2.039710
O 0.650352 0.848743 -2.421701
O 3.610730 1.740053 1.049307
N 1.788614 0.338727 1.483391
N 2.104882 1.249913 -0.671601
C 0.255851 -0.421486 -0.352715
C -1.286764 -0.350829 -0.580576
C -1.949795 1.057007 -0.528254
C 0.869598 -1.811554 -0.889731
C -3.463833 0.922224 -0.877310
C -1.701973 1.804690 0.810647
C 0.598141 -0.337666 1.141496
C 0.975347 0.617417 -1.228640
C 0.660420 -3.063846 -0.046611
C -4.333205 0.186587 0.169161
C -2.350147 3.205245 0.877655
C 2.579378 1.145539 0.649119
C -0.748279 -3.595564 0.144831
C 1.742187 -3.708609 0.469327
H -1.753316 -1.004789 0.174664
H -1.493543 -0.783156 -1.577430
H -1.501854 1.668667 -1.339137
H 1.958149 -1.668255 -1.028559
H 0.427077 -1.944162 -1.896610
H -3.880559 1.934854 -1.039968
H -3.549091 0.399751 -1.852058
H -0.609444 1.932158 0.959604
H -2.050671 1.185808 1.660253
H -3.993214 -0.851712 0.336503
H -5.384829 0.138602 -0.168370
H -4.321587 0.703100 1.146262
H -2.050795 3.825738 0.011389
H -2.042647 3.737522 1.796443
H -3.453311 3.145491 0.882757
H 2.076584 0.299343 2.466690
H 2.639773 1.871591 -1.287139
H -0.731310 -4.638784 0.503712
H -1.289601 -2.991346 0.895984
H -1.327881 -3.559433 -0.796634
H 2.762105 -3.326293 0.340165
H 1.636221 -4.639829 1.037276


