%chk=000048653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048653

1 1
 O    3.124700     -0.4111000      0.3659000    
 O    1.925200       2.084300      0.1125000    
 N   -2.439500     -1.4000000E-03 -8.9800000E-02
 C  -0.9178000     -0.1092000      3.4600001E-02
 C   -3.077800     -0.6053000       1.157900    
 C   -2.883900     -0.7497000      -1.343500    
 C   -2.907900       1.447300     -0.2101000    
 C  -0.2169000       1.049700      1.3300000E-02
 C  -0.4003000      -1.355100      0.1554000    
 C    1.169700      0.9507000      0.1265000    
 C   0.9865000      -1.454100      0.2684000    
 C    1.771500     -0.3011000      0.2540000    
 C    3.866500     -0.5450000     -0.8449000    
 H   -2.675400     -9.6000001E-02   2.039500    
 H   -4.159500     -0.4488000       1.095300    
 H   -2.876800      -1.679200       1.198600    
 H   -2.349300     -0.3381000      -2.205600    
 H   -2.683000      -1.818600      -1.231300    
 H   -3.961800     -0.6006000      -1.463600    
 H   -2.500400       1.891800      -1.124200    
 H   -4.000900       1.438100     -0.2913000    
 H   -2.635800       1.998800      0.6959000    
 H  -0.6232000       2.046900     -8.2900003E-02
 H  -0.9874000      -2.265100      0.1681000    
 H    1.448800      -2.432600      0.3680000    
 H    2.856900       1.836400      0.2408000    
 H    3.693000      0.3113000      -1.504300    
 H    3.595500      -1.473600      -1.357200    
 H    4.929800     -0.5822000     -0.5928000    


%chk=000048653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048653

1 1
O 3.212607 0.142997 -0.233343
O 1.825055 2.415712 0.026164
N -2.509925 0.018285 -0.065846
C -0.979958 0.031501 -0.114775
C -2.978561 -0.804636 1.143518
C -3.063183 -0.600780 -1.358121
C -3.107069 1.419275 0.067399
C -0.272274 1.249617 -0.019920
C -0.305780 -1.200226 -0.251785
C 1.132996 1.223236 -0.066000
C 1.108052 -1.220309 -0.297322
C 1.831507 -0.016059 -0.205687
C 4.063761 -1.052860 -0.375543
H -2.563189 -0.350678 2.055048
H -4.079449 -0.797876 1.175359
H -2.611735 -1.835285 1.047884
H -2.710684 -0.001238 -2.210051
H -2.694860 -1.630371 -1.457688
H -4.163548 -0.597857 -1.312011
H -2.807267 2.030381 -0.795809
H -4.202956 1.321375 0.088777
H -2.759600 1.879780 1.003081
H -0.741882 2.228440 0.087685
H -0.838930 -2.152912 -0.324906
H 1.624356 -2.177841 -0.404007
H 2.804366 2.244351 -0.021805
H 3.849944 -1.568531 -1.329284
H 3.914971 -1.736885 0.479474
H 5.093734 -0.672105 -0.377287


