%chk=000126923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126923

0 1
 O    2.518300      0.6419000      0.9064000    
 O    2.218300      -2.441000     -0.9174000    
 O    4.579100      -1.359800     -0.1156000    
 O    3.116700       3.164200     -0.1627000    
 O   -3.173100      -1.153400      -1.512200    
 O   -5.117700     -0.8996000     -0.3741000    
 N   0.4331000     -0.4890000      0.8508000    
 N   -1.657500      -1.026300       1.378000    
 N   -4.764500       1.836300     -0.5093000    
 C    2.280700      -1.040100     -0.7439000    
 C    1.875700     -0.6240000      0.6620000    
 C    3.692700     -0.4942000     -0.8249000    
 C    3.576600      0.8223000     -6.3000001E-02
 C    3.210900       1.996700     -0.9599000    
 C  -0.3183000      0.6225000      0.5875000    
 C  -0.4152000      -1.452500       1.323400    
 C   -1.604100      0.2666000      0.9205000    
 C   -2.824600       1.082800      0.8364000    
 C   -3.573300      0.9832000     -0.5160000    
 C   -4.053800     -0.4365000     -0.7660000    
 H    1.644200     -0.5643000      -1.498900    
 H    2.225600      -1.332600       1.423200    
 H    4.064300     -0.4004000      -1.849200    
 H    4.484200       1.056200      0.5047000    
 H    2.244700       1.852800      -1.453600    
 H    3.975800       2.161900      -1.724200    
 H   0.1044000       1.537300      0.1957000    
 H    2.826400      -2.850600     -0.2787000    
 H    5.463900     -0.9577000     -0.1473000    
 H  -7.3799998E-02  -2.438300       1.608100    
 H   -2.567400       2.133300       1.027200    
 H   -3.500300      0.7837000       1.649700    
 H   -2.924600       1.293800      -1.343500    
 H    2.436100       3.003500      0.5132000    
 H   -5.195600       1.827800      -1.433200    
 H   -4.489900       2.802100     -0.3336000    
 H   -3.493000      -2.065500      -1.679100    


%chk=000126923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126923

0 1
O 2.668709 0.433724 1.088493
O 2.187780 -2.329589 -1.289530
O 4.551247 -1.524090 -0.495796
O 3.082497 3.113422 0.499622
O -3.305590 -1.498625 -1.096436
O -5.256025 -0.831043 -0.024829
N 0.453748 -0.449989 0.820195
N -1.665311 -0.700100 1.584363
N -4.792402 1.746354 -1.044572
C 2.274946 -0.947344 -0.880948
C 1.865284 -0.719899 0.611939
C 3.723199 -0.388195 -0.937245
C 3.714615 0.772569 0.071440
C 3.336432 2.132683 -0.548660
C -0.293429 0.618893 0.295149
C -0.424534 -1.211325 1.595708
C -1.595772 0.455763 0.773846
C -2.813503 1.291835 0.503950
C -3.643866 0.874935 -0.780850
C -4.176738 -0.540734 -0.587977
H 1.602829 -0.381502 -1.546977
H 2.130242 -1.612544 1.207933
H 4.011359 -0.065993 -1.956778
H 4.667183 0.863156 0.624242
H 2.450324 2.018252 -1.213455
H 4.172701 2.536614 -1.145678
H 0.153301 1.396178 -0.318809
H 3.044190 -2.760004 -1.012973
H 5.512934 -1.322894 -0.592600
H -0.108186 -2.107444 2.124846
H -2.526102 2.349821 0.352626
H -3.493101 1.244555 1.374255
H -2.953949 0.868885 -1.643433
H 2.503204 2.672173 1.177581
H -5.622898 1.505113 -0.494402
H -4.581559 2.746545 -1.066231
H -3.628760 -2.407060 -0.847509


