%chk=000083459.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083459

0 1
 O   -1.344000      -2.643900     -5.2999998E-03
 O    3.903000      0.2945000     -6.0000003E-04
 N  -0.3851000      -1.639100      1.6000000E-03
 N    2.743800       1.069400     -8.9999998E-04
 C  -0.7273000     -0.2623000      5.0000002E-04
 C   0.2941000      0.7169000      1.9999999E-04
 C   -2.068700      0.1536000     -5.0000002E-04
 C    1.724000      0.2696000      1.9999999E-04
 C  -4.3900002E-02   2.076700       0.000000    
 C   -2.393500       1.509600     -8.9999998E-04
 C   -1.383900       2.467100     -5.0000002E-04
 C   0.9316000      -2.024400      1.8000000E-03
 C    1.979000      -1.196300      1.3000000E-03
 C   -3.229000     -0.7913000      3.1000001E-03
 H   0.7262000       2.843400      9.9999997E-05
 H   -3.427800       1.844000     -1.1000000E-03
 H   -1.638600       3.523200     -6.0000003E-04
 H    1.075600      -3.099800      2.2000000E-03
 H    2.966500      -1.639900      1.5000000E-03
 H   -3.220800      -1.419600      0.8994000    
 H   -4.187900     -0.2590000      1.9900000E-02
 H   -3.240600      -1.401100     -0.9057000    
 H   -1.377300      -2.885200     -0.9473000    
 H    4.595100      0.9771000     -1.5000000E-03


%chk=000083459-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083459

0 1
O -1.250579 -2.635601 0.609823
O 4.023085 0.513415 -0.058610
N -0.400241 -1.681768 -0.144765
N 2.693903 1.145302 0.021306
C -0.737051 -0.295693 -0.028860
C 0.334890 0.656101 0.031122
C -2.099803 0.139407 -0.066057
C 1.745022 0.203143 -0.034952
C 0.023726 2.038815 0.120323
C -2.355842 1.523694 0.042172
C -1.309310 2.471086 0.147816
C 0.932404 -2.106409 -0.138489
C 1.984645 -1.227372 -0.142637
C -3.273723 -0.805343 -0.267557
H 0.855621 2.747377 0.162591
H -3.397042 1.866054 0.021869
H -1.542746 3.537908 0.226533
H 1.057454 -3.191123 -0.150077
H 3.009421 -1.593012 -0.211679
H -3.466986 -1.424161 0.626440
H -4.188556 -0.227934 -0.482287
H -3.109054 -1.480532 -1.131018
H -1.880917 -2.990624 -0.074561
H 4.622180 1.300469 -0.011548


