%chk=000129389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129389

0 1
 O   8.4600002E-02   3.245900      5.5599999E-02
 O  -0.6756000      -2.692400      0.5073000    
 O   -2.289900       2.342300     -0.2695000    
 O   -4.716800       1.600500     -0.6239000    
 O    7.949600     -0.8664000     -0.8925000    
 N    4.397200     -0.1692000     -0.2415000    
 C  -7.7600002E-02 -0.4239000      0.3860000    
 C  -0.4997000      0.8917000      0.1835000    
 C    2.192100      0.3548000      0.7036000    
 C   -2.887300      7.3799998E-02 -0.1530000    
 C   -2.465200      -1.241700      4.9800001E-02
 C    1.271500     -0.6921000      0.6467000    
 C   -1.045000      -1.538600      0.3274000    
 C   -1.920000       1.188700     -9.3599997E-02
 C    3.629300      6.8599999E-02  0.9818000    
 C   0.4274000       1.939300      0.2419000    
 C    1.771000       1.667600      0.5017000    
 C   -4.236100      0.3417000     -0.4155000    
 C   -3.391900      -2.289400     -1.0200000E-02
 C    5.792300     -0.4338000      7.1199998E-02
 C   -5.156200     -0.7053000     -0.4745000    
 C   -4.735100      -2.018200     -0.2724000    
 C    6.581300     -0.6439000      -1.209900    
 H    1.612600      -1.712600      0.8043000    
 H    4.060100      0.9124000       1.536900    
 H    3.702100     -0.7999000       1.650100    
 H    2.494800       2.478500      0.5461000    
 H   -3.088700      -3.321500      0.1439000    
 H    4.004700     -0.9668000     -0.7418000    
 H    5.891100      -1.320700      0.7096000    
 H    6.233800      0.4036000      0.6259000    
 H   -6.205000     -0.5054000     -0.6781000    
 H   -5.453400      -2.831600     -0.3189000    
 H    6.527300      0.2382000      -1.856500    
 H    6.213800      -1.506500      -1.775900    
 H   0.8747000       3.806800      0.1380000    
 H   -4.005400       2.255200     -0.5638000    
 H    7.996000      -1.664200     -0.3386000    


%chk=000129389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129389

0 1
O 0.445660 2.750742 -0.831626
O -1.148151 -2.857501 1.012283
O -2.175070 2.251494 -0.825257
O -4.643345 1.814146 -0.817484
O 8.337091 0.342888 -0.214625
N 4.587485 -0.156327 -0.191520
C -0.262485 -0.716624 0.330513
C -0.509532 0.614360 -0.147616
C 2.162044 -0.337236 0.350911
C -3.004517 0.122001 -0.127740
C -2.776862 -1.205738 0.348436
C 1.047688 -1.178890 0.569132
C -1.386740 -1.679058 0.592968
C -1.898030 1.060212 -0.390216
C 3.574467 -0.824242 0.649788
C 0.630745 1.451848 -0.369407
C 1.940600 0.970975 -0.122469
C -4.357698 0.554913 -0.358859
C -3.857888 -2.077499 0.590166
C 5.989301 -0.367725 0.222157
C -5.438409 -0.335747 -0.109793
C -5.184838 -1.635779 0.359449
C 6.936414 0.508620 -0.620244
H 1.167995 -2.206993 0.926833
H 3.816060 -0.585463 1.706178
H 3.594434 -1.938266 0.575969
H 2.817039 1.609615 -0.295228
H -3.643346 -3.086087 0.954589
H 4.444211 -0.363476 -1.190067
H 6.315010 -1.438054 0.146273
H 6.091603 -0.076509 1.284236
H -6.454765 0.023729 -0.294503
H -6.024539 -2.312954 0.547853
H 6.713893 1.573685 -0.452784
H 6.804714 0.288241 -1.703732
H 1.321759 3.207594 -0.926059
H -3.724966 2.298006 -0.933395
H 8.611370 -0.597400 -0.363910


