%chk=000129776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129776

0 1
 O    4.044700       2.178500       1.110600    
 O    3.159100      -3.380200      0.8219000    
 N  -0.8484000       1.485200      -1.262700    
 N    2.074000      -2.283100     -0.9223000    
 C  -7.1199998E-02 -0.3040000     -0.2036000    
 C   -1.124500      0.1831000     -0.9429000    
 C   0.8832000      0.7427000     -6.8099998E-02
 C   4.5499999E-02  -1.669600      0.3491000    
 C   0.3713000       1.854000     -0.7414000    
 C   -2.378100     -0.4588000      -1.383900    
 C   0.7279000      -2.672700     -0.5980000    
 C    2.137500      0.8518000      0.5648000    
 C    1.053600       3.073600     -0.8140000    
 C   -3.530500     -0.3077000     -0.3990000    
 C    2.831300       2.065600      0.5007000    
 C    2.295900       3.158100     -0.1787000    
 C   -4.366400      0.7831000     -0.5150000    
 C   -3.701000      -1.266300      0.5776000    
 C   -5.421300      0.9214000      0.3870000    
 C   -4.756000      -1.128000       1.479500    
 C    3.181300      -2.671800     -0.1811000    
 C   -5.616200     -3.4200002E-02   1.384200    
 C    4.538300       1.025400       1.789100    
 C    4.470300      -2.146100     -0.7537000    
 H  -0.9352000      -2.066400      0.6156000    
 H   0.6071000      -1.632600       1.291800    
 H   -1.450700       2.092100      -1.802000    
 H   -2.209000      -1.527200      -1.573600    
 H   -2.687600     -5.5900000E-02  -2.358200    
 H   0.7437000      -3.663800     -0.1315000    
 H   0.1761000      -2.748800      -1.541200    
 H    2.504700     -2.3000000E-02   1.086100    
 H   0.6375000       3.924600      -1.342600    
 H    2.847200       4.094600     -0.2196000    
 H    2.209600      -1.695300      -1.739800    
 H   -4.220600       1.531700      -1.287900    
 H   -3.062100      -2.138300      0.6489000    
 H   -6.091100       1.773200      0.3129000    
 H   -4.912100      -1.875600       2.251800    
 H   -6.438600      7.2700001E-02   2.085500    
 H    5.509400       1.294800       2.217600    
 H    4.715900      0.1964000       1.097900    
 H    3.890700      0.7402000       2.625100    
 H    5.239500      -2.138500      2.3399999E-02
 H    4.790700      -2.794400      -1.573600    
 H    4.343400      -1.126200      -1.127400    


%chk=000129776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129776

0 1
O 4.088798 2.156541 1.474291
O 3.648356 -4.062249 -0.995026
N -1.071771 1.237549 -0.457698
N 2.327635 -2.152832 -1.214970
C 0.037438 -0.669623 0.143507
C -1.169980 -0.160715 -0.361840
C 0.910278 0.471996 0.373666
C 0.382372 -2.123144 0.374385
C 0.185816 1.653253 -0.006415
C -2.420906 -0.876139 -0.809657
C 1.065980 -2.808230 -0.843848
C 2.236874 0.593158 0.880215
C 0.750254 2.943785 0.104389
C -3.727507 -0.255680 -0.306045
C 2.792055 1.884850 0.989503
C 2.058890 3.049521 0.603173
C -4.812917 -0.042983 -1.192102
C -3.888253 0.087869 1.062140
C -6.035669 0.492938 -0.724565
C -5.107501 0.621673 1.532517
C 3.541178 -2.822479 -1.250476
C -6.187410 0.825536 0.640517
C 4.892154 1.014330 1.905739
C 4.747218 -1.966063 -1.636554
H -0.529792 -2.704267 0.614504
H 1.054507 -2.217432 1.248458
H -1.842175 1.847075 -0.726761
H -2.351655 -1.925290 -0.462673
H -2.455823 -0.926523 -1.917441
H 1.316465 -3.858681 -0.613282
H 0.370284 -2.799086 -1.707046
H 2.791451 -0.299091 1.184968
H 0.195137 3.842397 -0.185822
H 2.548256 4.021910 0.711357
H 2.305754 -1.145511 -1.389038
H -4.702756 -0.302382 -2.252764
H -3.051266 -0.063321 1.755034
H -6.865334 0.649540 -1.423127
H -5.217233 0.878345 2.592248
H -7.133773 1.239833 1.005568
H 5.845752 1.442496 2.248570
H 5.079628 0.310876 1.069214
H 4.406757 0.469427 2.739594
H 5.566712 -2.160986 -0.924407
H 5.104593 -2.274243 -2.635253
H 4.529928 -0.883650 -1.657449


