%chk=000040229.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040229

0 1
 O   -4.292100     -0.2516000      1.2700000E-02
 O   -2.410100       1.596600     -6.6999998E-03
 N   0.4570000       1.075100     -6.9999998E-04
 C    1.689200      0.4611000      8.9999998E-04
 C  -0.5389000      0.1355000     -5.2999998E-03
 C    1.461700     -0.9169000     -2.7000001E-03
 C   5.1500000E-02  -1.107200     -6.6000000E-03
 C    2.974500       1.014300      5.2000000E-03
 C   0.2451000       2.507900      3.0000000E-03
 C   -1.938700      0.4335000     -6.6000000E-03
 C    2.569800      -1.787100     -1.8000000E-03
 C    4.058200      0.1316000      6.0999999E-03
 C    3.861300      -1.247900      2.7000001E-03
 C   -2.958200     -0.7228000     -9.8000001E-03
 C   -5.230400      -1.322100      9.6000005E-03
 H  -0.4602000      -2.060400     -9.8999999E-03
 H    3.148300       2.084400      8.0000004E-03
 H  -0.3065000       2.779900     -0.9006000    
 H  -0.3112000       2.774500      0.9055000    
 H    1.195200       3.043100      7.1000000E-03
 H    2.430800      -2.864300     -4.4999998E-03
 H    5.070300      0.5285000      9.6000005E-03
 H    4.719800      -1.914300      3.5000001E-03
 H   -2.776700      -1.338600      0.8785000    
 H   -2.796700      -1.315000     -0.9177000    
 H   -5.099200      -1.948500      0.8972000    
 H   -5.120800      -1.924400     -0.8975000    
 H   -6.237200     -0.8965000      2.7400000E-02


%chk=000040229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040229

0 1
O -4.320679 -0.269968 0.004043
O -2.438457 1.671046 0.003356
N 0.455865 1.137035 0.002124
C 1.693402 0.489335 0.000910
C -0.564188 0.153410 0.000792
C 1.457426 -0.937555 -0.001291
C 0.037430 -1.122824 -0.001247
C 3.006647 1.022331 0.001614
C 0.266224 2.597274 0.004837
C -2.001504 0.483695 0.000732
C 2.564969 -1.832243 -0.002836
C 4.079307 0.113413 0.000033
C 3.863752 -1.301340 -0.002173
C -2.948789 -0.731550 -0.001280
C -5.265025 -1.386001 -0.000315
H -0.489290 -2.075876 -0.002515
H 3.196009 2.100381 0.003289
H -0.299881 2.920612 -0.883096
H -0.300291 2.917197 0.893744
H 1.255219 3.081323 0.006015
H 2.402673 -2.915714 -0.004476
H 5.105862 0.496440 0.000505
H 4.730021 -1.971640 -0.003334
H -2.730593 -1.358915 0.894314
H -2.735055 -1.351669 -0.903079
H -5.146972 -2.028209 0.899375
H -5.150081 -2.018321 -0.907368
H -6.268200 -0.933267 0.003928


