%chk=000136951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136951

0 1
 O    6.469300     -0.7538000     -6.9999998E-04
 O   -6.464700     -0.7551000      3.0000001E-04
 O  -6.8999999E-03  -1.196900     -3.0000001E-04
 N    1.156400      0.8369000      6.0000003E-04
 N   -1.153500      0.8413000       0.000000    
 C    2.493000      0.4371000      7.9999998E-04
 C   -2.508700      0.4344000     -3.9999999E-04
 C    3.507600       1.394200      1.4000000E-03
 C   -3.505300       1.396200     -1.3000000E-03
 C    2.814600     -0.9202000     -8.9999998E-04
 C   -2.809800     -0.9176000      1.5000000E-03
 C  -7.4999998E-03  2.9899999E-02  9.9999997E-05
 C    5.165600     -0.3633000     -1.6000000E-03
 C   -5.161400     -0.3632000      1.5000000E-03
 C    4.843800      0.9940000       0.000000    
 C   -4.841100      0.9944000     -3.0000001E-04
 C    4.150800      -1.320500     -2.0999999E-03
 C   -4.145600      -1.319300      2.4000001E-03
 C    7.455900      0.2769000      1.9000000E-03
 C   -7.452500      0.2746000     -2.7000001E-03
 H    1.001100       1.842100      1.2000001E-03
 H  -0.9998000       1.846500     -5.0000002E-04
 H    3.270400       2.455200      2.4999999E-03
 H   -3.265700       2.456000     -2.4999999E-03
 H    2.089300      -1.721200     -1.6000000E-03
 H   -2.085700      -1.718200      2.7000001E-03
 H    5.581300       1.789400      6.0000003E-04
 H   -5.579400       1.789000     -1.1000000E-03
 H    4.396500      -2.379100     -3.1000001E-03
 H   -4.390400      -2.378100      3.5000001E-03
 H    7.401500      0.8838000      0.9121000    
 H    7.404000      0.8860000     -0.9069000    
 H    8.435200     -0.2130000      2.7000001E-03
 H   -8.431200     -0.2164000     -3.5000001E-03
 H   -7.398500      0.8813000     -0.9129000    
 H   -7.401400      0.8839000      0.9061000    


%chk=000136951-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000136951

0 1
O 6.589474 -0.786648 0.000790
O -6.587619 -0.787500 -0.000438
O 0.000262 -1.180339 -0.000199
N 1.166485 0.871452 -0.000096
N -1.165171 0.871578 -0.000376
C 2.519747 0.422371 0.000153
C -2.518037 0.422540 -0.000443
C 3.534742 1.412378 0.000658
C -3.533551 1.412297 -0.000973
C 2.895888 -0.950451 -0.000108
C -2.894163 -0.950430 0.000051
C 0.000643 0.086305 -0.000330
C 5.266640 -0.307711 0.000622
C -5.264933 -0.308294 -0.000491
C 4.901004 1.060547 0.000888
C -4.899640 1.060083 -0.000992
C 4.256404 -1.300345 0.000141
C -4.254501 -1.300720 0.000007
C 7.662458 0.206721 0.001499
C -7.660935 0.205551 -0.001125
H 1.058754 1.887646 0.000140
H -1.057447 1.887804 -0.000628
H 3.261041 2.476329 0.000873
H -3.260126 2.476366 -0.001379
H 2.118939 -1.716228 -0.000447
H -2.116833 -1.715901 0.000373
H 5.656834 1.851387 0.001261
H -5.655725 1.850666 -0.001398
H 4.558259 -2.352249 -0.000049
H -4.556125 -2.352679 0.000376
H 7.622331 0.846701 0.905672
H 7.622979 0.847247 -0.902319
H 8.595989 -0.374664 0.001659
H -8.594248 -0.376177 -0.001084
H -7.621112 0.845392 -0.905405
H -7.621506 0.846174 0.902617


