%chk=000089141.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089141

0 1
 O   -1.373000      -1.688200      0.2673000    
 O    1.373400      -1.687100     -0.2676000    
 O   -2.874800       1.003100      -1.299500    
 O    2.874900       1.003000       1.299500    
 N   -3.348500     -0.4617000      0.4406000    
 N    3.348400     -0.4619000     -0.4405000    
 C  -0.7210000      -2.846400     -0.2356000    
 C   0.7206000      -2.846500      0.2355000    
 C   -2.733700      -1.635100     -0.1446000    
 C    2.733400      -1.635200      0.1448000    
 C   -3.362900      0.7663000     -0.1992000    
 C    3.362800      0.7661000      0.1992000    
 C   -4.049900       1.805600      0.6126000    
 C    4.050100       1.805200     -0.6126000    
 C   -4.161600       3.056400      0.1556000    
 C    4.161900       3.056300     -0.1556000    
 H  -0.7529000      -2.823600      -1.331100    
 H   -1.230800      -3.746900      0.1239000    
 H   0.7529000      -2.823500       1.331000    
 H    1.230700      -3.746700     -0.1244000    
 H   -3.277800      -2.510500      0.2240000    
 H   -2.798100      -1.580800      -1.236500    
 H    2.797700      -1.580800       1.236700    
 H    3.277400      -2.510800     -0.2238000    
 H   -3.761000     -0.5602000       1.363600    
 H    3.760900     -0.5604000      -1.363500    
 H   -4.460500       1.538300       1.580200    
 H    4.460700       1.537800      -1.580100    
 H   -4.664500       3.809300      0.7536000    
 H   -3.765700       3.364900     -0.8056000    
 H    4.664900       3.809000     -0.7536000    
 H    3.765900       3.364800      0.8054000    


%chk=000089141-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089141

0 1
O -1.468536 -1.665233 0.343127
O 1.468498 -1.665370 -0.343165
O -3.739961 0.766467 -1.513057
O 3.739983 0.766163 1.513025
N -3.501427 -0.475559 0.452246
N 3.501463 -0.475813 -0.452311
C -0.702041 -2.742535 -0.293410
C 0.701923 -2.742565 0.293449
C -2.844873 -1.593858 -0.180081
C 2.844865 -1.594105 0.179982
C -3.849312 0.682287 -0.252500
C 3.849387 0.682000 0.252472
C -4.382474 1.785407 0.609716
C 4.382529 1.785151 -0.609716
C -4.781873 2.965074 0.071580
C 4.781913 2.964809 -0.071550
H -0.645893 -2.588633 -1.392015
H -1.187452 -3.726021 -0.095746
H 0.645789 -2.588579 1.392043
H 1.187257 -3.726105 0.095860
H -3.368951 -2.548112 0.051398
H -2.854411 -1.408855 -1.271990
H 2.854464 -1.409163 1.271901
H 3.368874 -2.548377 -0.051576
H -3.553918 -0.472626 1.472391
H 3.553949 -0.472845 -1.472456
H -4.433685 1.615190 1.694293
H 4.433742 1.614963 -1.694298
H -5.165446 3.783469 0.689528
H -4.718655 3.115122 -1.012592
H 5.165478 3.783224 -0.689476
H 4.718694 3.114828 1.012626


