%chk=000080564.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080564

0 1
 O   -3.967400     -0.8798000     -2.0000001E-03
 O   -3.768100       1.384400      6.9999998E-04
 O    3.264800       1.449800     -8.9999998E-04
 N    2.317100     -0.7068000      5.0000002E-04
 N    4.607700     -0.3990000     -8.9999998E-04
 C   0.9431000     -0.4651000      1.5000000E-03
 C   -1.804700      1.7300000E-02 -5.0000002E-04
 C   0.4651000      0.8452000      1.2000001E-03
 C   4.7300000E-02  -1.534300      1.1000000E-03
 C  -0.9088000       1.086400      9.9999997E-05
 C   -1.326600      -1.293100       0.000000    
 C   -3.237100      0.2690000       0.000000    
 C    3.367800      0.2258000     -6.0000003E-04
 H    1.096400       1.722800      1.5000000E-03
 H   0.4064000      -2.560400      1.2000001E-03
 H   -1.262200       2.114400       0.000000    
 H   -1.988500      -2.154500     -9.9999997E-05
 H    2.593000      -1.685800      3.9999999E-04
 H    5.466600      0.1408000     -1.6000000E-03
 H    4.696200      -1.409500     -6.0000003E-04
 H   -4.931600     -0.6992000     -2.3000001E-03


%chk=000080564-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080564

0 1
O -4.067953 -0.906937 -0.000402
O -3.838399 1.404246 -0.000116
O 3.309503 1.444507 -0.000044
N 2.352370 -0.721893 0.000040
N 4.680594 -0.433604 -0.000068
C 0.968482 -0.425781 0.000027
C -1.839964 -0.000902 -0.000023
C 0.451402 0.901212 0.000065
C 0.067794 -1.530917 -0.000031
C -0.939709 1.096756 0.000035
C -1.319089 -1.321852 -0.000062
C -3.293669 0.271754 -0.000013
C 3.431561 0.186422 0.000060
H 1.144318 1.743809 0.000114
H 0.461924 -2.555490 -0.000059
H -1.353529 2.110572 0.000072
H -2.009827 -2.169128 -0.000103
H 2.579571 -1.718497 0.000011
H 5.490000 0.182257 -0.000164
H 4.828964 -1.440507 -0.000084
H -5.027845 -0.647627 -0.000554


