%chk=000070553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070553

0 1
 O   0.5606000       3.220600     -1.1000000E-03
 O   -1.514100       2.490000      1.0000000E-03
 O    3.873900      -2.007000       0.000000    
 O    4.236900      0.1623000     -5.2999998E-03
 N   -2.089600      7.5999998E-02  5.2999998E-03
 N  -0.2775000       2.289500      1.9999999E-04
 N    3.460900     -0.8229000     -1.6000000E-03
 N   -2.930500     -0.9704000     -1.8000000E-03
 C  -0.6914000     -0.1298000      3.3000000E-03
 C   0.1951000      0.9472000       0.000000    
 C    2.060300     -0.5884000      9.9999997E-05
 C    1.571100      0.7179000     -1.6000000E-03
 C  -0.2022000      -1.436000      5.1000002E-03
 C    1.173600      -1.665300      3.4000000E-03
 C   -4.174200     -0.6231000      1.2000001E-03
 C   -5.252800      -1.660700     -8.2000000E-03
 H    2.266100       1.554400     -4.0000002E-03
 H  -0.8600000      -2.300900      8.1000002E-03
 H    1.518600      -2.696200      4.9999999E-03
 H   -2.454700       1.018500      8.9999996E-03
 H   -4.504900      0.4316000      9.2000002E-03
 H   -5.876500      -1.529900      0.8797000    
 H   -5.873600      -1.517000     -0.8962000    
 H   -4.828900      -2.667800     -1.4800000E-02


%chk=000070553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070553

0 1
O 0.704899 3.309915 0.003089
O -1.478406 2.664532 0.004527
O 3.887651 -2.099339 -0.001070
O 4.315150 0.145867 0.000405
N -2.095617 0.131479 -0.000004
N -0.191888 2.388087 0.002896
N 3.506939 -0.862350 0.000476
N -2.980123 -0.948755 -0.000267
C -0.738503 -0.098553 0.000475
C 0.219355 0.984195 0.001410
C 2.057478 -0.594571 0.000457
C 1.608709 0.730157 0.001274
C -0.224913 -1.438414 -0.000307
C 1.144129 -1.686972 -0.000318
C -4.259168 -0.652990 -0.001459
C -5.288336 -1.745320 -0.002805
H 2.316089 1.563287 0.002032
H -0.951590 -2.252513 -0.001053
H 1.538543 -2.706429 -0.000955
H -2.388346 1.131299 -0.001099
H -4.621569 0.394376 -0.002184
H -5.945244 -1.664089 0.884420
H -5.942457 -1.664635 -0.892153
H -4.806580 -2.735665 -0.001788


