%chk=000068368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068368

0 1
 O    1.766100     -0.4894000     -0.9456000    
 O   0.7998000       2.286000       1.124200    
 O    2.966400       2.280500     -0.5162000    
 O    3.721600      -2.411100     -0.3576000    
 N  -0.4456000     -0.3765000     -9.3599997E-02
 N   -1.732100      -2.098200      0.5057000    
 N   -2.159400       1.290100     -0.5265000    
 N   -4.393500      0.3893000     -0.1345000    
 C    1.399900       1.042700      0.8228000    
 C   0.7643000      0.3860000     -0.3931000    
 C    2.842600       1.172700      0.3756000    
 C    3.057100     -0.1173000     -0.4098000    
 C    3.565400      -1.261700      0.4559000    
 C   -1.736000      6.8800002E-02 -0.1677000    
 C  -0.4969000      -1.684300      0.3147000    
 C   -2.516900      -1.012500      0.2078000    
 C   -3.894800     -0.8203000      0.2172000    
 C   -3.507900       1.355100     -0.4794000    
 H    1.331200      0.3968000       1.705700    
 H   0.4957000       1.115300      -1.167200    
 H    3.541600       1.328300       1.202400    
 H    3.723100      2.3900000E-02  -1.268600    
 H    2.864500      -1.514700       1.257500    
 H    4.535300      -1.019100      0.8998000    
 H   0.9121000       2.868800      0.3541000    
 H    3.890100       2.306700     -0.8192000    
 H   0.3905000      -2.284800      0.4614000    
 H    2.854400      -2.614000     -0.7482000    
 H   -4.609800      -1.585100      0.4909000    
 H   -3.942000       2.310400     -0.7550000    


%chk=000068368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068368

0 1
O 1.602752 -0.539899 -0.790094
O 1.037058 2.187778 1.644089
O 2.894635 2.396307 -0.226403
O 3.663119 -2.437374 -0.954470
N -0.523582 -0.283734 0.257390
N -1.950111 -1.825909 1.204587
N -2.176601 1.041080 -1.030699
N -4.472093 0.208111 -0.745607
C 1.534360 0.956626 1.086883
C 0.694195 0.411735 -0.107313
C 2.942919 1.086302 0.445388
C 3.017287 -0.092532 -0.551527
C 3.780554 -1.317872 -0.026246
C -1.807596 0.038437 -0.200360
C -0.680290 -1.410209 1.089736
C -2.684629 -0.922519 0.402504
C -4.054599 -0.790624 0.091300
C -3.525798 1.061426 -1.260114
H 1.548709 0.220276 1.908469
H 0.405190 1.236166 -0.787043
H 3.753170 1.061040 1.199167
H 3.430216 0.225715 -1.527059
H 3.404771 -1.592347 0.984794
H 4.861276 -1.102329 0.041812
H 1.349109 2.921551 1.046228
H 3.787852 2.663937 -0.550941
H 0.168890 -1.896636 1.564433
H 2.699189 -2.554978 -1.162534
H -4.818957 -1.462560 0.494123
H -3.894195 1.845434 -1.926992


