%chk=000080997.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080997

0 1
 O  -9.2299998E-02 -0.6746000      1.2700000E-02
 O   -1.079100      -2.754200     -2.5000000E-02
 O   -7.153000      0.6708000     -2.4400000E-02
 O   -6.053900       2.570700      1.1700000E-02
 N   -6.077100       1.316300     -6.8000001E-03
 C    4.711800      0.3768000      8.7899998E-02
 C    6.153400     -0.1388000      5.2999999E-02
 C    3.665200     -0.7378000      2.2000000E-02
 C    7.199400      0.9781000      4.4500001E-02
 C    2.247800     -0.1671000      3.6600001E-02
 C    8.615100      0.4094000     -6.3800000E-02
 C    1.198100      -1.269200      1.2900000E-02
 C    9.657400       1.515200     -0.1112000    
 C   -1.148000      -1.535100     -7.4999998E-03
 C   -2.433600     -0.7920000     -6.8999999E-03
 C   -3.642200      -1.488100     -2.7100001E-02
 C   -2.432200      0.6026000      1.3200000E-02
 C   -4.848100      0.6052000     -7.4000000E-03
 C   -4.849500     -0.7896000     -2.7400000E-02
 C   -3.639400       1.301300      1.2900000E-02
 H    4.558200       1.062600     -0.7546000    
 H    4.563700      0.9625000       1.003600    
 H    6.285000     -0.7605000     -0.8415000    
 H    6.323700     -0.7906000      0.9189000    
 H    3.801000      -1.415000      0.8737000    
 H    3.814700      -1.329100     -0.8893000    
 H    7.008700       1.650200     -0.8010000    
 H    7.106800       1.575200      0.9596000    
 H    2.097500      0.4558000      0.9272000    
 H    2.097500      0.4980000     -0.8231000    
 H    8.819900     -0.2438000      0.7923000    
 H    8.702800     -0.2036000     -0.9684000    
 H    1.317500      -1.881200     -0.8889000    
 H    1.305500      -1.908700      0.8970000    
 H    9.499900       2.166200     -0.9771000    
 H    10.66170       1.086600     -0.1869000    
 H    9.617700       2.130400      0.7933000    
 H   -3.664200      -2.574600     -4.3000001E-02
 H   -1.514900       1.184300      2.9300001E-02
 H   -5.771600      -1.364900     -4.3299999E-02
 H   -3.600600       2.387600      2.8899999E-02


%chk=000080997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080997

0 1
O -0.120868 -0.608701 -0.019338
O -1.105178 -2.717596 0.128017
O -7.373035 0.524267 0.068547
O -6.319323 2.538545 -0.118397
N -6.310696 1.251973 -0.016275
C 4.786987 0.395151 0.016933
C 6.227844 -0.155899 -0.073575
C 3.708689 -0.708713 -0.062455
C 7.309623 0.941927 0.036733
C 2.269739 -0.142406 -0.007762
C 8.750794 0.391664 -0.063827
C 1.227505 -1.258849 -0.023052
C 9.826260 1.492926 0.055412
C -1.212172 -1.468333 0.056045
C -2.513339 -0.726917 0.039392
C -3.708924 -1.486196 0.128971
C -2.571483 0.687173 -0.066876
C -4.991632 0.563733 0.004465
C -4.960100 -0.844276 0.112870
C -3.816933 1.342489 -0.085624
H 4.623439 1.128889 -0.799745
H 4.667424 0.955570 0.967419
H 6.353470 -0.698720 -1.033802
H 6.385060 -0.905932 0.729880
H 3.859850 -1.425622 0.771371
H 3.844865 -1.286617 -0.999990
H 7.151186 1.697430 -0.761373
H 7.190734 1.479611 1.000764
H 2.139378 0.465615 0.908105
H 2.098817 0.529803 -0.870513
H 8.906815 -0.366666 0.730627
H 8.870520 -0.141349 -1.029218
H 1.299671 -1.890840 -0.927861
H 1.298141 -1.916099 0.863156
H 9.713750 2.246211 -0.747280
H 10.846413 1.073047 -0.016543
H 9.745907 2.021748 1.023960
H -3.632772 -2.574936 0.209106
H -1.640900 1.255855 -0.134460
H -5.898013 -1.400942 0.180437
H -3.897212 2.429282 -0.167643


