%chk=000002553.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002553

0 1
 O    1.115600      -2.666500      4.0000002E-03
 O    1.471400       2.820900      2.2000000E-02
 O   -5.612900     -0.5624000      5.5000000E-03
 O   -4.390800       1.377900     -4.2500000E-02
 N    1.220900      -1.277800      7.1999999E-03
 N    1.410300       1.547900      1.5699999E-02
 N   -2.292900     -0.1229000      2.3000001E-03
 N   -3.385000     -0.7240000      1.5000000E-02
 C    2.500600     -0.6694000     -2.2000000E-03
 C    2.614900      0.7331000      1.8000000E-03
 C   6.8599999E-02 -0.5193000      1.8100001E-02
 C    3.679500      -1.430900     -1.5600000E-02
 C   0.2449000      0.9488000      2.2800000E-02
 C    3.868800       1.355800     -7.3000002E-03
 C    4.931200     -0.8108000     -2.4400000E-02
 C    5.025100      0.5787000     -2.0199999E-02
 C   -1.204100     -0.9401000      2.5699999E-02
 C   -4.446500      0.1522000     -1.0700000E-02
 C   -6.819600      0.2087000     -1.7100001E-02
 H    3.641800      -2.517400     -1.9300001E-02
 H  -0.6375000       1.608300      3.4600001E-02
 H    3.966100       2.437600     -4.3000001E-03
 H    5.833900      -1.414900     -3.4699999E-02
 H    6.000300       1.056700     -2.7200000E-02
 H   -1.397400      -2.011600      2.9200001E-02
 H    1.120300      -2.870300      0.9552000    
 H   -6.874600      0.8512000      0.8668000    
 H   -7.665300     -0.4838000     -7.9999998E-04
 H   -6.870800      0.8044000     -0.9334000    


%chk=000002553-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002553

0 1
O 1.140291 -2.604834 0.038179
O 1.662317 2.918668 0.014389
O -5.703279 -0.619453 -0.046155
O -4.527453 1.399700 0.074134
N 1.258131 -1.177963 0.114923
N 1.503768 1.607071 0.025528
N -2.267337 -0.156123 0.033880
N -3.437184 -0.790578 -0.004467
C 2.553844 -0.648166 0.041257
C 2.694155 0.770485 0.010523
C 0.095362 -0.401427 0.045923
C 3.712631 -1.462115 0.012888
C 0.278108 1.021872 0.034452
C 3.964625 1.374161 -0.036959
C 4.980513 -0.851598 -0.035364
C 5.113563 0.560877 -0.057753
C -1.183342 -0.996953 0.022410
C -4.533192 0.146886 0.014275
C -6.949357 0.174306 -0.040046
H 3.603970 -2.548452 0.010738
H -0.600474 1.666506 0.020766
H 4.010596 2.466122 -0.057104
H 5.874605 -1.483034 -0.060567
H 6.106263 1.018743 -0.095185
H -1.308042 -2.086453 -0.039946
H 0.829853 -2.899284 0.943086
H -7.021759 0.773037 0.884500
H -7.757384 -0.568753 -0.094998
H -6.976992 0.856853 -0.907106


