%chk=000012089.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012089

0 1
 O   -3.176500      -1.018600      5.5799998E-02
 O   -3.140100       1.253700      1.0400000E-02
 N    3.093400     -0.3999000     -7.5900003E-02
 N    3.934300      0.6605000      0.1680000    
 C    1.690600     -0.2552000     -5.3399999E-02
 C   -1.084100      3.0300001E-02 -6.0999999E-03
 C    1.120000       1.017500     -6.8899997E-02
 C   0.8738000      -1.385200     -1.4200000E-02
 C  -0.2673000       1.160300     -4.5100000E-02
 C  -0.5135000      -1.242500      9.3999999E-03
 C   -2.530700      0.1791000      1.9900000E-02
 H    1.724000       1.920000     -0.1063000    
 H    1.306600      -2.382400     -1.5000000E-03
 H  -0.6926000       2.160400     -5.9200000E-02
 H   -1.111900      -2.148800      4.0100001E-02
 H    3.473300      -1.337100     -6.3000000E-03
 H    4.833800      0.4693000     -0.2711000    
 H    4.115400      0.7091000       1.169800    
 H   -4.151000     -0.9073000      7.2600000E-02


%chk=000012089-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000012089

0 1
O -3.279731 -1.018590 -0.062799
O -3.163890 1.301326 -0.060347
N 3.117840 -0.469167 0.118364
N 4.004057 0.604181 0.143907
C 1.729974 -0.291267 0.078692
C -1.099322 -0.003178 -0.001432
C 1.142405 1.007056 0.062445
C 0.885410 -1.443112 0.054354
C -0.253055 1.139920 0.022725
C -0.508403 -1.297031 0.015089
C -2.558981 0.197148 -0.042875
H 1.801319 1.878866 0.080950
H 1.330926 -2.446054 0.066228
H -0.718070 2.131585 0.009743
H -1.156775 -2.177579 -0.003464
H 3.480068 -1.427808 0.130183
H 4.521985 0.796707 -0.714411
H 4.470547 0.798352 1.030920
H -4.248802 -0.798155 -0.090273


