%chk=000147878.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147878

0 1
 O    2.995600      -1.121500       0.000000    
 O   -4.249700       1.030100     -1.1000000E-03
 O    5.369100       1.444200     -1.5000000E-03
 O    5.583100     -0.7406000     -1.9999999E-04
 N   -3.556300      -1.125200     -5.0000002E-04
 N    4.847000      0.2902000     -6.0000003E-04
 C  -0.1789000      0.5494000      6.0000003E-04
 C   -1.070700     -0.5639000      3.0000001E-04
 C    1.215900      0.2764000      6.0000003E-04
 C   -2.459500     -0.2925000     -9.9999997E-05
 C    1.634400      -1.052100      1.9999999E-04
 C   -2.883800       1.028600     -3.0000001E-04
 C  -0.6729000       1.872900      8.9999998E-04
 C  -0.5928000      -1.887400      3.0000001E-04
 C   0.7780000      -2.153000      3.0000001E-04
 C    2.413500       1.048200      6.9999998E-04
 C   -2.046500       2.137800      6.9999998E-04
 C    3.457700      0.1542000      3.9999999E-04
 C   -4.572800     -0.2924000     -1.0000000E-03
 C   -6.010300     -0.6034000      3.0000001E-04
 H   1.2700000E-02   2.718000      1.3000000E-03
 H   -1.285500      -2.726400      9.9999997E-05
 H    1.156600      -3.168700      9.9999997E-05
 H    2.497300       2.126300      7.9999998E-04
 H   -2.431900       3.150200      7.9999998E-04
 H   -6.492800     -0.1879000      0.8900000    
 H   -6.495400     -0.1835000     -0.8859000    
 H   -6.173300      -1.685300     -2.0999999E-03


%chk=000147878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147878

0 1
O 3.057902 -1.219990 0.000455
O -4.305003 1.094436 0.000236
O 5.296784 1.588477 -0.001677
O 5.716737 -0.674538 -0.001585
N -3.592239 -1.108449 -0.000044
N 4.921949 0.343083 0.000969
C -0.157291 0.561779 0.000390
C -1.070561 -0.565904 0.000222
C 1.247562 0.240734 0.000449
C -2.461348 -0.249280 0.000175
C 1.650582 -1.121363 0.000343
C -2.891467 1.093366 0.000315
C -0.648264 1.909867 0.000478
C -0.595811 -1.924834 0.000102
C 0.769127 -2.224790 0.000162
C 2.456169 1.024023 0.000586
C -2.020904 2.201168 0.000439
C 3.503510 0.114462 0.000676
C -4.645462 -0.304221 0.000003
C -6.094188 -0.641823 0.000103
H 0.070960 2.734991 0.000567
H -1.342817 -2.724233 -0.000048
H 1.145291 -3.250162 0.000077
H 2.574747 2.104279 0.000680
H -2.393770 3.228010 0.000511
H -6.597994 -0.227752 0.891479
H -6.599178 -0.222918 -0.888305
H -6.207223 -1.735718 -0.002657


