%chk=000031187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031187

0 1
 O   -2.735600     -0.3795000     -1.9999999E-04
 O   0.3945000       2.545400      7.9999998E-04
 O  -0.5805000      -1.998300      1.9999999E-04
 O   -2.343500       1.876400     -1.0000000E-03
 N  -0.5570000      0.3779000     -3.0000001E-04
 C    1.716300      0.5917000      9.9999997E-05
 C    1.424500     -0.7605000     -3.9999999E-04
 C   0.4557000       1.328900      3.9999999E-04
 C  -2.8200001E-02 -0.9128000     -6.0000003E-04
 C    3.015300       1.058600      3.9999999E-04
 C    2.415700      -1.721300     -3.9999999E-04
 C   -1.921600      0.7216000     -8.9999998E-04
 C    4.036600      0.1045000      3.9999999E-04
 C    3.739500      -1.273000      9.9999997E-05
 C   -4.144000     -0.1206000      3.9999999E-04
 C   -4.887800      -1.439100      1.1000000E-03
 H    3.243900       2.117900      6.9999998E-04
 H    2.187400      -2.780700     -6.9999998E-04
 H    5.074600      0.4270000      6.9999998E-04
 H    4.552300      -1.994700      9.9999997E-05
 H   -4.408800      0.4542000      0.8948000    
 H   -4.409700      0.4537000     -0.8941000    
 H   -5.969500      -1.278100      1.5000000E-03
 H   -4.618800      -2.033500     -0.8784000    
 H   -4.618000      -2.033000      0.8806000    


%chk=000031187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031187

0 1
O -2.767222 -0.374234 0.000443
O 0.354390 2.623737 0.001115
O -0.641624 -2.049774 -0.002249
O -2.387589 1.929266 -0.001947
N -0.587268 0.386324 -0.000680
C 1.755839 0.602292 0.000255
C 1.456554 -0.775472 -0.000563
C 0.487134 1.386144 0.000350
C -0.023501 -0.968718 -0.001345
C 3.081383 1.067124 0.000956
C 2.470701 -1.747566 -0.000675
C -1.970382 0.754821 -0.001060
C 4.113627 0.096192 0.000835
C 3.812521 -1.291754 0.000035
C -4.243290 -0.106823 0.000353
C -4.922931 -1.470538 0.001808
H 3.297339 2.139883 0.001602
H 2.223192 -2.813525 -0.001329
H 5.160401 0.417964 0.001379
H 4.632011 -2.018185 -0.000042
H -4.483899 0.494117 0.895717
H -4.484108 0.492293 -0.896179
H -6.020208 -1.337932 0.001754
H -4.639945 -2.052381 -0.891317
H -4.639825 -2.050554 0.896084


