%chk=000125407.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125407

0 1
 O  -0.3506000      -2.168100      0.1485000    
 O   -3.367900       1.826500     -0.8114000    
 O   0.8043000      0.6362000       1.863100    
 O    1.439500       1.483600      -1.326100    
 O   -3.431700      -1.644600      -1.010200    
 O    2.937800       2.588300     -2.9300001E-02
 N  -0.5481000      -1.046900      0.9754000    
 N    4.818400      0.6884000     -0.6579000    
 N   -3.748500      0.6255000      -1.444800    
 C    1.666400      -1.095500      0.4651000    
 C    3.085000     -0.6786000      0.4529000    
 C   -1.899600     -0.8189000       1.428800    
 C   0.6172000     -0.3691000       1.198700    
 C    1.015200      -2.112300     -0.1057000    
 C    3.412200      0.2902000     -0.6983000    
 C   -2.556100      5.5100001E-02  0.4195000    
 C   -2.658000       1.379800      0.2956000    
 C    1.558400      -3.189700     -0.9749000    
 C   -3.285900     -0.4630000     -0.7461000    
 C    2.603700       1.575100     -0.6293000    
 C   -2.111600       2.437900       1.186500    
 H    3.332200     -0.2164000       1.417900    
 H    3.728600      -1.564300      0.3750000    
 H   -2.417500      -1.774300       1.555400    
 H   -1.856300     -0.3115000       2.397600    
 H    3.228600     -0.1891000      -1.667200    
 H    1.050800      -3.184500      -1.944600    
 H    1.401700      -4.167400     -0.5087000    
 H    2.630300      -3.070400      -1.158000    
 H    5.023400       1.167400      0.2180000    
 H    5.016900       1.349600      -1.407700    
 H   -4.289900      0.6615000      -2.298800    
 H   -1.628200       2.023600       2.075300    
 H   -2.915300       3.100000       1.524000    
 H   -1.372400       3.039700      0.6485000    
 H   0.9178000       2.312800      -1.276600    


%chk=000125407-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125407

0 1
O -0.284722 -2.180078 0.027224
O -3.734164 1.689514 -0.833463
O 0.628286 0.729017 1.894368
O 1.662768 1.923403 -0.918106
O -4.232054 -1.849131 -0.566822
O 3.411358 2.672471 0.419934
N -0.561671 -1.060889 0.909791
N 5.017839 0.485146 -0.639693
N -4.368917 0.439376 -1.189455
C 1.678803 -1.039195 0.463774
C 3.122078 -0.623741 0.500994
C -1.950104 -0.852579 1.318430
C 0.602282 -0.324684 1.176185
C 1.115138 -2.106726 -0.195829
C 3.548806 0.413510 -0.594817
C -2.788627 -0.036326 0.368770
C -2.765353 1.318501 0.139578
C 1.654512 -3.186487 -1.076033
C -3.841775 -0.649434 -0.472555
C 2.904942 1.777589 -0.291044
C -1.966480 2.455732 0.685142
H 3.352586 -0.195770 1.495531
H 3.789250 -1.490192 0.347967
H -2.423312 -1.843751 1.439792
H -1.885186 -0.372101 2.311845
H 3.174344 0.062162 -1.571456
H 1.234107 -3.117210 -2.095659
H 1.402841 -4.186144 -0.678977
H 2.750737 -3.101324 -1.145563
H 5.408073 0.931224 0.200727
H 5.375524 0.940673 -1.487129
H -5.133608 0.525095 -1.856895
H -1.099924 2.071076 1.251847
H -2.580511 3.083379 1.357134
H -1.606444 3.103604 -0.134746
H 1.239378 2.770888 -0.610593


