%chk=000096695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096695

0 1
 O    3.030900      -1.592600     -9.9999997E-05
 O    3.830900      0.5251000      1.9999999E-04
 N   0.5675000     -0.8611000     -9.9999997E-05
 N  -0.2237000       1.802400      9.9999997E-05
 C  -0.7364000     -0.5331000       0.000000    
 C   -1.137100      0.8156000     -9.9999997E-05
 C   -1.710200      -1.529100      9.9999997E-05
 C   -2.496700       1.118500     -9.9999997E-05
 C    1.465400      0.1405000     -9.9999997E-05
 C   -3.068100      -1.215300      9.9999997E-05
 C   -3.463100      0.1141000     -9.9999997E-05
 C    1.075400       1.453300      9.9999997E-05
 C    2.865200     -0.2384000     -9.9999997E-05
 H   -1.414400      -2.576400      1.9999999E-04
 H   -2.820700       2.157400     -9.9999997E-05
 H   -3.810800      -2.007200      3.0000001E-04
 H    1.778300       2.277700      1.9999999E-04
 H   -4.517700      0.3721000     -9.9999997E-05
 H    3.979400      -1.843100      9.9999997E-05


%chk=000096695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096695

0 1
O 3.212259 -1.618224 -0.000042
O 3.825051 0.621892 -0.000006
N 0.557338 -0.950552 0.000145
N -0.210046 1.837142 -0.000017
C -0.776151 -0.576612 0.000096
C -1.166825 0.826207 0.000002
C -1.786088 -1.590780 0.000119
C -2.553176 1.168140 -0.000068
C 1.461051 0.053526 0.000128
C -3.133951 -1.225931 0.000049
C -3.517549 0.156213 -0.000042
C 1.077137 1.444023 0.000053
C 2.927547 -0.258814 0.000199
H -1.462377 -2.636012 0.000187
H -2.821373 2.229055 -0.000140
H -3.910352 -1.998524 0.000063
H 1.850744 2.217435 0.000064
H -4.581670 0.416841 -0.000099
H 4.202529 -1.734625 -0.000191


