%chk=000096810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096810

0 1
 O    3.375000      -2.573300      0.5635000    
 O    1.928100      -1.406600       1.871900    
 O   -1.419500       3.266800      0.6242000    
 O   0.6801000       2.664200      0.4065000    
 O   -4.502700      -2.002700     -0.4336000    
 O   -4.960800      8.8100001E-02  5.4299999E-02
 N    1.363000      0.3369000     -0.1452000    
 N  -0.5449000       2.399000      0.3954000    
 N   -4.137700     -0.8283000     -0.1848000    
 C    3.717700     -1.0600000E-02 -0.8080000    
 C    2.377200     -0.6630000     -0.4109000    
 C    4.332200      0.8413000      0.3084000    
 C    3.570500      0.8270000      -2.082500    
 C   6.3000000E-03  6.9200002E-02 -0.1494000    
 C    2.512600      -1.553000      0.8079000    
 C  -0.9566000       1.066200      0.1137000    
 C  -0.4537000      -1.235000     -0.4242000    
 C   -2.319900      0.7711000      0.1018000    
 C   -1.816900      -1.530300     -0.4358000    
 C   -2.750000     -0.5271000     -0.1732000    
 H    4.435200     -0.8122000      -1.029300    
 H    2.074200      -1.291200      -1.258100    
 H    1.675200       1.245700      0.1658000    
 H    4.479500      0.2584000       1.222900    
 H    3.715900       1.711600      0.5531000    
 H    5.315400       1.215200      1.1000000E-03
 H    2.923400       1.696600      -1.927500    
 H    3.148300      0.2275000      -2.895900    
 H    4.547100       1.195500      -2.414600    
 H   0.2189000      -2.061000     -0.6334000    
 H   -3.050800       1.550000      0.3061000    
 H   -2.116300      -2.552600     -0.6527000    
 H    3.470700      -3.164800       1.340100    


%chk=000096810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096810

0 1
O 3.324628 -2.755894 0.388255
O 2.201887 -1.439765 1.946092
O -1.487497 3.323794 0.634541
O 0.705299 2.758633 0.414491
O -4.585558 -2.021613 -0.409266
O -5.041128 0.160518 0.097350
N 1.365630 0.297564 -0.180070
N -0.572673 2.449199 0.403604
N -4.220705 -0.805808 -0.153246
C 3.774251 0.025216 -0.773289
C 2.416938 -0.684409 -0.427683
C 4.272770 0.950253 0.364008
C 3.656633 0.786171 -2.114696
C 0.024238 0.033479 -0.157310
C 2.599809 -1.622111 0.780688
C -0.957834 1.066614 0.115255
C -0.487635 -1.285566 -0.419028
C -2.340654 0.788083 0.118436
C -1.851981 -1.558552 -0.420647
C -2.777856 -0.513450 -0.151680
H 4.504147 -0.796761 -0.900310
H 2.154430 -1.320107 -1.295749
H 1.614346 1.269053 0.072331
H 4.317346 0.431781 1.338602
H 3.635646 1.846323 0.485743
H 5.289034 1.310905 0.126459
H 2.918722 1.606416 -2.053479
H 3.353907 0.113907 -2.938826
H 4.631126 1.232275 -2.382156
H 0.212645 -2.101242 -0.614039
H -3.056295 1.586987 0.329113
H -2.231997 -2.564134 -0.619319
H 3.475082 -3.349161 1.173427


