%chk=000006702.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006702

0 1
 O  -6.9499999E-02   2.479000     -2.6000000E-03
 O  -0.8707000      -2.804400     -1.3000000E-03
 N    2.510500       2.207800      1.9999999E-04
 C   0.9181000      0.3229000     -3.9999999E-04
 C   0.6976000      -1.056000     -6.0000003E-04
 C   -1.596000      0.7250000     -1.9999999E-04
 C   -1.816500     -0.6539000       0.000000    
 C    2.226700      0.8207000       0.000000    
 C  -0.2206000       1.263900     -6.0000003E-04
 C  -0.6779000      -1.594800       0.000000    
 C    3.308000     -6.1000001E-02  1.9999999E-04
 C    1.785600      -1.937200     -5.0000002E-04
 C    3.087900      -1.436900     -9.9999997E-05
 C   -2.684000       1.606200      3.0000001E-04
 C   -3.125100      -1.151600      6.9999998E-04
 C    4.718800      0.4344000      2.4999999E-03
 C   -3.986400       1.105900      1.1000000E-03
 C   -4.206400     -0.2701000      1.3000000E-03
 H    1.640300      -3.014100     -3.9999999E-04
 H    3.919500      -2.136800      3.9999999E-04
 H   -2.541900       2.683500      1.9999999E-04
 H   -3.323200      -2.220200      8.9999998E-04
 H    4.919500       1.033600     -0.8920000    
 H    4.917400       1.031400      0.8988000    
 H    5.439000     -0.3915000      2.3000001E-03
 H   -4.830100       1.790000      1.6000000E-03
 H   -5.221400     -0.6570000      2.0000001E-03
 H    3.461100       2.549200      1.1000000E-03
 H    1.758900       2.882700      8.9999998E-04


%chk=000006702-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006702

0 1
O -0.067171 2.576910 0.000664
O -0.893141 -2.891219 0.000027
N 2.515373 2.207739 0.001012
C 0.910940 0.359778 0.000608
C 0.685819 -1.058904 0.000391
C -1.608544 0.732469 0.000432
C -1.839353 -0.673094 0.000210
C 2.269964 0.854625 0.000808
C -0.223958 1.292508 0.000664
C -0.695566 -1.632074 0.000102
C 3.373934 -0.077523 0.000807
C 1.772017 -1.951882 0.000411
C 3.097699 -1.454237 0.000612
C -2.712079 1.621899 0.000463
C -3.166167 -1.170559 0.000044
C 4.796143 0.441857 0.001031
C -4.028602 1.120209 0.000296
C -4.257392 -0.280116 0.000087
H 1.563236 -3.025332 0.000240
H 3.937344 -2.159106 0.000619
H -2.507017 2.696633 0.000631
H -3.308677 -2.255809 -0.000135
H 5.006782 1.064226 -0.892124
H 5.006659 1.063772 0.894532
H 5.519593 -0.389320 0.000865
H -4.877599 1.812354 0.000332
H -5.282003 -0.667141 -0.000044
H 3.466307 2.566969 0.001173
H 1.684660 2.825068 0.001042


