%chk=000029049.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029049

0 1
 O    2.246600      -1.531800      6.0000003E-04
 O    3.728400      0.1917000       0.000000    
 O   -3.270000     -0.6851000       0.000000    
 O   -1.770600      -2.288500     -5.0000002E-04
 N    2.520700     -0.1344000      9.9999997E-05
 N   0.8711000      -1.696600      3.0000001E-04
 N   -2.071800      -1.067500     -9.9999997E-05
 C   0.3172000     -0.4757000     -9.9999997E-05
 C   -1.039100     -0.1016000     -3.9999999E-04
 C    1.362900      0.5208000     -9.9999997E-05
 C   -1.245000       1.293700     -3.9999999E-04
 C    1.180000       1.898200     -3.0000001E-04
 C  -0.1838000       2.247500     -3.9999999E-04
 C   -2.646500       1.829300      1.3000000E-03
 H    1.974300       2.631600     -3.0000001E-04
 H  -0.4244000       3.310800     -1.9999999E-04
 H   -3.186100       1.537500      0.9080000    
 H   -2.645100       2.926300      1.8000000E-03
 H   -3.187900       1.538400     -0.9047000    


%chk=000029049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029049

0 1
O 2.269990 -1.674895 -0.000002
O 3.835239 0.272259 -0.000765
O -3.314006 -0.713007 -0.000927
O -1.702653 -2.325672 -0.001546
N 2.635477 -0.115321 -0.000346
N 0.867696 -1.793220 0.000376
N -2.073367 -1.089931 0.001331
C 0.365322 -0.518147 0.000436
C -1.012476 -0.065408 0.000874
C 1.408386 0.483762 -0.000035
C -1.302334 1.316485 0.000732
C 1.136175 1.878548 -0.000122
C -0.199387 2.259828 0.000264
C -2.693810 1.914814 0.001076
H 1.953677 2.604983 -0.000479
H -0.450850 3.324598 0.000219
H -3.279328 1.584856 0.876578
H -2.632874 3.015652 0.000765
H -3.279977 1.584417 -0.873829


