%chk=000033692.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033692

0 1
 O  -0.8602000      0.3092000      4.3000001E-02
 N   -5.637900     -0.3390000      0.5053000    
 N    7.662800      -1.418600      0.4573000    
 C   -4.605300      0.5750000      3.2000002E-02
 C   -3.222000     -2.6100000E-02  0.2584000    
 C   -2.120200      0.9164000     -0.2067000    
 C   -5.885500      -1.392400     -0.4808000    
 C   -6.876100      0.3867000      0.7941000    
 C    1.528700      0.4370000     -7.6800004E-02
 C   0.2131000       1.143800     -0.3714000    
 C    2.728500       1.289600     -0.4857000    
 C   -6.912200      -2.390100      2.7600000E-02
 C   -7.438600       1.034000     -0.4600000    
 C    4.031500      0.5743000     -0.2365000    
 C    4.679700      0.7129000      0.9908000    
 C    4.589300     -0.2262000      -1.233400    
 C    5.885700      5.0999999E-02   1.221300    
 C    5.795200     -0.8882000      -1.002900    
 C    6.443500     -0.7495000      0.2244000    
 H   -4.725700      0.8324000      -1.028100    
 H   -4.641400       1.517100      0.5954000    
 H   -3.099100     -0.9782000     -0.2702000    
 H   -3.074300     -0.2550000       1.322100    
 H   -2.183000       1.866000      0.3376000    
 H   -2.225000       1.116000      -1.279600    
 H   -6.168100      -1.020500      -1.472100    
 H   -4.963900      -1.965100     -0.6352000    
 H   -7.627100     -0.2527000       1.269900    
 H   -6.673400       1.166200       1.540300    
 H    1.544500     -0.5280000     -0.6001000    
 H    1.578500      0.1904000      0.9918000    
 H   0.1683000       2.094900      0.1720000    
 H   0.1275000       1.345500      -1.445600    
 H    2.721000       2.240100      6.3100003E-02
 H    2.657800       1.557100      -1.547800    
 H   -6.685800      -2.720700       1.047300    
 H   -7.932100      -1.995000      1.8000000E-03
 H   -6.904900      -3.280600     -0.6111000    
 H   -6.743000       1.721900     -0.9486000    
 H   -7.801500      0.3109000      -1.195600    
 H   -8.310800       1.636700     -0.1786000    
 H    4.254000       1.332400       1.775600    
 H    4.092800     -0.3434000      -2.193000    
 H    6.380900      0.1667000       2.182100    
 H    6.219600      -1.509500      -1.787500    
 H    8.067500      -1.999700     -0.2647000    
 H    8.132900      -1.319000       1.347200    


%chk=000033692-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033692

0 1
O -0.851490 0.420171 -0.043086
N -5.731372 -0.279867 0.405374
N 7.706205 -1.613486 0.494979
C -4.658494 0.609808 -0.106633
C -3.238574 0.062109 0.163347
C -2.154245 1.061941 -0.253002
C -5.907025 -1.503638 -0.417837
C -6.989231 0.442769 0.726248
C 1.570265 0.523780 -0.142772
C 0.272047 1.296103 -0.395534
C 2.830221 1.368783 -0.480308
C -6.819573 -2.557946 0.236623
C -7.776785 1.042050 -0.473568
C 4.127986 0.613053 -0.234033
C 4.727748 0.580359 1.051298
C 4.763748 -0.120343 -1.268106
C 5.905897 -0.150545 1.302285
C 5.942541 -0.858220 -1.038417
C 6.534742 -0.886610 0.256789
H -4.767281 0.817187 -1.203410
H -4.762949 1.585421 0.409435
H -3.062059 -0.879957 -0.388219
H -3.139546 -0.167180 1.239322
H -2.221284 1.994278 0.354832
H -2.268223 1.347054 -1.325394
H -6.289616 -1.266799 -1.444721
H -4.906295 -1.951376 -0.556834
H -7.650066 -0.245277 1.284864
H -6.727483 1.256332 1.430257
H 1.565344 -0.401450 -0.748930
H 1.602184 0.208917 0.917150
H 0.239837 2.223862 0.222462
H 0.196931 1.599693 -1.466054
H 2.810731 2.295747 0.128218
H 2.774960 1.685535 -1.541286
H -6.471188 -2.779299 1.261106
H -7.872750 -2.228178 0.291725
H -6.796420 -3.494029 -0.351163
H -7.163091 1.767161 -1.038771
H -8.110127 0.255680 -1.175123
H -8.677289 1.571234 -0.109638
H 4.265303 1.141330 1.873994
H 4.329380 -0.112800 -2.276273
H 6.346993 -0.152098 2.307231
H 6.412015 -1.412129 -1.861380
H 8.150030 -2.143200 -0.248745
H 8.123550 -1.639229 1.420100


