%chk=000050430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050430

0 1
 O  -0.4449000     -0.3789000      -2.277500    
 O    1.506100      -4.153300      0.6310000    
 N   -2.741400     -0.1364000     -0.2056000    
 N    2.170900      -1.996300      0.4332000    
 C   -2.297600      0.3664000       1.102200    
 C   -4.199500     -2.4700001E-02 -0.3506000    
 C   -2.694500       1.831000       1.294100    
 C   -4.658700       1.427000     -0.2061000    
 C   -4.196000       2.026100       1.117100    
 C   -2.313300      -1.522400     -0.3929000    
 C  -0.8187000      -1.655700     -0.3331000    
 C  -6.7599997E-02 -0.6830000      -1.150300    
 C    1.075100      1.6000001E-02 -0.5456000    
 C  -0.2254000      -2.628200      0.3634000    
 C    2.099600     -0.6203000      0.1547000    
 C    1.148200       1.398400     -0.7962000    
 C    1.210800      -2.969100      0.4407000    
 C    2.236600       2.146000     -0.3521000    
 C    3.270400       1.516700      0.3280000    
 C    3.205600      0.1440000      0.5694000    
 C    2.275600       3.612500     -0.6300000    
 C    4.458600       2.284200      0.8062000    
 H   -1.211400      0.3215000       1.221500    
 H   -2.730800     -0.2347000       1.913400    
 H   -4.715800     -0.6486000      0.3910000    
 H   -4.502500     -0.3804000      -1.342900    
 H   -2.155600       2.455500      0.5701000    
 H   -2.394700       2.168300       2.292800    
 H   -5.751300       1.478200     -0.2729000    
 H   -4.259100       2.022900      -1.036500    
 H   -4.728300       1.541300       1.944600    
 H   -4.444000       3.092500       1.154700    
 H   -2.795200      -2.176700      0.3463000    
 H   -2.638700      -1.874200      -1.381100    
 H  -0.8591000      -3.340800      0.8900000    
 H   0.3476000       1.892900      -1.343600    
 H    3.092300      -2.324800      0.7147000    
 H    4.023700     -0.3422000       1.099700    
 H    1.371500       3.952400      -1.146900    
 H    2.344100       4.181200      0.3031000    
 H    3.128100       3.860200      -1.270800    
 H    4.976300       2.757600     -3.4299999E-02
 H    4.157200       3.051300       1.526800    
 H    5.185700       1.636900       1.308900    


%chk=000050430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050430

0 1
O -0.684231 0.173231 -2.040219
O 1.349204 -3.573637 1.801948
N -2.936386 -0.299116 0.119595
N 2.076624 -1.571168 0.953882
C -3.352046 -0.570397 1.510903
C -3.925342 0.459769 -0.676999
C -3.704342 0.736843 2.250948
C -4.284529 1.789033 0.018094
C -4.765991 1.541821 1.466704
C -2.318626 -1.454682 -0.568726
C -0.823707 -1.409070 -0.270954
C -0.106041 -0.316474 -1.011661
C 1.207052 0.254734 -0.579732
C -0.294604 -2.326857 0.600040
C 2.162961 -0.318531 0.315334
C 1.528667 1.517939 -1.162425
C 1.064057 -2.526579 1.130889
C 2.709936 2.226473 -0.901569
C 3.663021 1.642287 -0.001826
C 3.371314 0.396350 0.574554
C 2.969896 3.572116 -1.551191
C 4.961342 2.352161 0.325107
H -2.523549 -1.087420 2.031343
H -4.238031 -1.259384 1.537134
H -4.863744 -0.135439 -0.831975
H -3.480868 0.655920 -1.669025
H -2.784673 1.344304 2.355979
H -4.066986 0.495648 3.268735
H -5.063223 2.311826 -0.569953
H -3.384150 2.433285 0.033132
H -5.719503 0.973139 1.447110
H -4.975112 2.502436 1.974492
H -2.752644 -2.428371 -0.247112
H -2.472569 -1.346541 -1.655318
H -0.964272 -3.111688 0.975345
H 0.787013 1.926101 -1.856736
H 2.930469 -1.867738 1.441607
H 4.103145 -0.050611 1.260375
H 2.142691 3.854016 -2.223178
H 3.081562 4.375320 -0.797115
H 3.902454 3.564755 -2.147734
H 5.566482 2.521493 -0.586035
H 4.773270 3.348814 0.767977
H 5.573912 1.774190 1.036855


