%chk=000049351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049351

0 1
 O   -2.630100      -2.750100      1.0000000E-03
 O  -0.7317000      -4.000100     -1.9999999E-04
 O    3.365700       1.995700      2.9000000E-03
 O   -3.624600       1.269500      2.4999999E-03
 N    2.869400     -0.3092000     -3.0000001E-04
 N   -1.380300       1.991800     -8.9999998E-04
 C    1.474700     -0.3474000     -9.9999997E-05
 C  -0.6500000      0.8029000     -6.9999998E-04
 C   0.7444000      0.8410000     -3.0000001E-04
 C  -0.5839000      -1.612200     -1.9999999E-04
 C   0.8106000      -1.574100     -9.9999997E-05
 C   -1.314100     -0.4238000     -6.9999998E-04
 C   -1.276100      -2.891000     -1.9999999E-04
 C    3.704000      0.8164000     -3.9999999E-04
 C   -2.772300       2.151900     -7.9999998E-04
 C    5.162100      0.4313000     -6.0000003E-04
 C   -3.167700       3.607300     -8.9999998E-04
 H    1.202100       1.820800     -6.9999998E-04
 H    1.385700      -2.497500      9.9999997E-05
 H   -2.391000     -0.4849000     -1.4000000E-03
 H    3.328900      -1.217400     -5.0000002E-04
 H  -0.8243000       2.844400     -1.2000001E-03
 H    5.395000     -0.1330000      0.9068000    
 H    5.783100       1.330900     -2.9400000E-02
 H    5.384300     -0.1807000     -0.8793000    
 H   -2.794000       4.091600      0.9056000    
 H   -4.257300       3.695500     -2.7899999E-02
 H   -2.750100       4.105400     -0.8804000    
 H   -3.087400      -3.618100      1.5000000E-03


%chk=000049351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049351

0 1
O -2.622296 -2.953134 0.001176
O -0.595529 -4.080689 0.001639
O 3.344625 1.991503 -0.005091
O -3.677712 1.344569 -0.000348
N 2.875821 -0.309026 -0.003697
N -1.431936 2.031909 -0.004294
C 1.452236 -0.319519 -0.002800
C -0.737348 0.791060 -0.002975
C 0.680207 0.866303 -0.003958
C -0.605722 -1.636786 0.000272
C 0.805357 -1.578582 -0.000727
C -1.397268 -0.463382 -0.000895
C -1.224374 -2.992610 0.002622
C 3.741813 0.788656 -0.004510
C -2.812767 2.265889 -0.002581
C 5.221078 0.407013 0.002048
C -3.180510 3.749941 0.002443
H 1.200371 1.828356 -0.005793
H 1.369269 -2.518672 0.000214
H -2.485586 -0.519239 -0.000346
H 3.315650 -1.232570 -0.002616
H -0.834407 2.862398 -0.005769
H 5.485045 -0.154555 0.917295
H 5.820742 1.327426 -0.031566
H 5.480559 -0.219011 -0.871587
H -2.807817 4.251008 0.915036
H -4.275546 3.839095 -0.026759
H -2.756690 4.273798 -0.874227
H -2.972165 -3.884251 0.000993


