%chk=000047072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047072

1 1
 O   -1.474400     -0.5566000      -1.094400    
 O   -2.196800      0.2106000      0.9782000    
 N    3.004700      0.9385000      1.5000000E-03
 N   -3.625400      0.2031000     -0.8497000    
 C    1.921900     -0.1433000      9.7000003E-03
 C    4.214400      0.4160000     -0.7682000    
 C    3.379900       1.268600       1.443600    
 C    2.531100       2.224500     -0.6724000    
 C   0.7318000      0.1764000     -0.5531000    
 C    2.244800      -1.329400      0.5788000    
 C  -0.2548000     -0.8096000     -0.5458000    
 C    1.258200      -2.315200      0.5862000    
 C   8.5000005E-03  -2.055500      2.3800001E-02
 C   -2.425600     -1.8999999E-02 -0.2057000    
 C   -4.792600      0.7496000     -0.1974000    
 C   -4.525700       1.041100       1.264800    
 H    3.890200      0.1164000      -1.770100    
 H    4.948100       1.225600     -0.8377000    
 H    4.663800     -0.4248000     -0.2330000    
 H    3.848600      0.4007000       1.915300    
 H    4.097100       2.095600       1.427000    
 H    2.474600       1.567100       1.981900    
 H    1.690200       2.646300     -0.1120000    
 H    3.359200       2.942000     -0.6395000    
 H    2.292400       2.024000      -1.722100    
 H   0.4675000       1.120100      -1.009400    
 H    3.206500      -1.555300       1.022700    
 H    1.462600      -3.285300       1.029800    
 H  -0.7555000      -2.828100      3.2499999E-02
 H   -5.073600       1.661800     -0.7325000    
 H   -5.604000      2.4000000E-02 -0.3092000    
 H   -3.691200     -2.9700000E-02  -1.835800    
 H   -4.307100      0.1398000       1.846700    
 H   -3.764000       1.813400       1.414000    
 H   -5.444000       1.452400       1.702900    


%chk=000047072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047072

1 1
O -1.586399 -0.882140 -0.147447
O -1.708548 1.435574 0.465019
N 3.100693 0.867434 0.438923
N -3.611138 0.094724 0.110404
C 2.093786 -0.240087 0.098715
C 4.008482 1.123059 -0.772820
C 3.950098 0.432590 1.641679
C 2.425145 2.191634 0.800861
C 0.716986 0.037996 0.154364
C 2.594551 -1.510093 -0.259229
C -0.190200 -1.007033 -0.163357
C 1.667195 -2.530549 -0.570863
C 0.281209 -2.290148 -0.525836
C -2.280914 0.355181 0.180157
C -4.646470 1.120746 0.366719
C -5.636637 1.243313 -0.806034
H 3.378387 1.418870 -1.624300
H 4.718411 1.926192 -0.520834
H 4.555274 0.203882 -1.022160
H 4.486285 -0.493564 1.395724
H 4.669273 1.232745 1.876578
H 3.279711 0.254379 2.495132
H 1.786259 2.052118 1.684229
H 3.216000 2.922805 1.027170
H 1.824656 2.545198 -0.049132
H 0.297130 1.006597 0.422895
H 3.664888 -1.733767 -0.304369
H 2.034795 -3.521909 -0.850754
H -0.441041 -3.074998 -0.764904
H -5.183559 0.861568 1.298975
H -4.118528 2.072967 0.539626
H -3.897914 -0.852889 -0.145364
H -5.119860 1.537487 -1.735578
H -6.172535 0.293829 -0.989178
H -6.394070 2.012089 -0.573611


