%chk=000068800.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068800

0 1
 O   -1.235400      0.5671000     -8.1400000E-02
 O  -0.4286000      -1.139800      -1.390600    
 N   -5.344700     -0.2224000     -0.1825000    
 C   -2.524600      0.3828000     -0.6521000    
 C    1.076000     -2.9400000E-02  0.2238000    
 C   -3.018300      -1.035300     -0.3795000    
 C   -3.485600       1.401600     -4.7699999E-02
 C   -4.469300      -1.213300     -0.8247000    
 C   -4.922400       1.148800     -0.5027000    
 C   0.9142000     -0.9333000       1.508800    
 C  -0.2553000     -0.2717000     -0.5427000    
 C    2.310200     -0.4074000     -0.6384000    
 C    1.230600       1.470200      0.6089000    
 C   0.7848000      -2.446700       1.245900    
 C   -6.736200     -0.4352000     -0.5799000    
 C   0.6871000      -3.225500       2.559900    
 C    3.416700     -0.8808000      6.6999998E-03
 C    1.294300       2.380600     -0.4047000    
 C    2.216000     -0.2447000      -1.991000    
 C    1.292300       1.780200       1.935600    
 C   0.5037000      -4.714500       2.312600    
 C    4.525700      -1.220700     -0.7680000    
 C    1.432700       3.725100     -5.9700001E-02
 C    3.325100     -0.5848000      -2.765700    
 C    1.430600       3.124700       2.280500    
 C    4.479800      -1.072900      -2.154100    
 C    1.500600       4.097100       1.282700    
 H   -2.461400      0.5593000      -1.734200    
 H   -2.926800      -1.255900      0.6931000    
 H   -2.439700      -1.810000     -0.8855000    
 H   -3.173800       2.415400     -0.3268000    
 H   -3.425500       1.364400       1.048300    
 H   -4.531500      -1.140200      -1.918700    
 H   -4.791100      -2.224400     -0.5467000    
 H   -5.574200       1.866900      9.4999997E-03
 H   -5.006900       1.342400      -1.580200    
 H    1.754500     -0.8067000       2.201600    
 H   9.3999999E-03 -0.6306000       2.057000    
 H    1.635200      -2.824400      0.6704000    
 H  -0.1166000      -2.650000      0.6579000    
 H   -7.396200      0.2703000     -6.3000001E-02
 H   -7.068200      -1.439900     -0.2959000    
 H   -6.881500     -0.3160000      -1.659800    
 H    1.594600      -3.068200       3.154200    
 H  -0.1579000      -2.854500       3.151600    
 H    3.500900     -0.9828000       1.080800    
 H    1.207500       2.133100      -1.454000    
 H    1.346100      0.1469000      -2.504600    
 H    1.237800       1.086000       2.761400    
 H    1.346800      -5.124900       1.747700    
 H   0.4386000      -5.251500       3.264000    
 H  -0.4147000      -4.908600       1.749400    
 H    5.427500      -1.594400     -0.2917000    
 H    1.478400       4.483500     -0.8360000    
 H    3.291600     -0.4657000      -3.844700    
 H    1.481500       3.416100       3.325700    
 H    5.344100      -1.335300      -2.757100    
 H    1.605700       5.144100       1.551500    


%chk=000068800-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068800

0 1
O -1.301570 0.031018 0.242555
O -0.314805 0.212295 -1.851327
N -5.496556 -0.449819 -0.297135
C -2.655930 0.193782 -0.384631
C 1.125665 0.076127 0.197616
C -3.179112 -1.165988 -0.874633
C -3.569673 0.785227 0.693364
C -4.635318 -1.013118 -1.364474
C -5.012741 0.877685 0.151021
C 0.999326 -0.839375 1.462470
C -0.200021 0.081429 -0.609546
C 2.332563 -0.410894 -0.641080
C 1.306537 1.579373 0.578779
C 0.762833 -2.336287 1.168020
C -6.920235 -0.423457 -0.684659
C 0.665767 -3.170801 2.465932
C 3.636514 -0.049712 -0.210113
C 1.539982 2.519595 -0.460775
C 2.211740 -1.293370 -1.743915
C 1.233475 2.050377 1.911913
C 0.422125 -4.670635 2.192998
C 4.785203 -0.548809 -0.859899
C 1.698611 3.890971 -0.174453
C 3.361044 -1.789923 -2.400594
C 1.398638 3.425387 2.201644
C 4.653136 -1.423315 -1.963194
C 1.630538 4.352074 1.161812
H -2.544314 0.885383 -1.242510
H -3.151775 -1.887144 -0.036964
H -2.544054 -1.546412 -1.694555
H -3.209680 1.786397 0.992667
H -3.555389 0.131002 1.583932
H -4.651843 -0.370132 -2.285482
H -5.034782 -2.003134 -1.652027
H -5.684646 1.244946 0.948472
H -5.048691 1.629334 -0.683563
H 1.934804 -0.729867 2.046809
H 0.166524 -0.472626 2.088521
H 1.580285 -2.736872 0.538197
H -0.176937 -2.458237 0.591376
H -7.530511 -0.065389 0.163834
H -7.255909 -1.444602 -0.939643
H -7.128691 0.238583 -1.563759
H 1.601679 -3.046861 3.048622
H -0.152172 -2.770609 3.099590
H 3.751911 0.637026 0.636674
H 1.596475 2.166923 -1.497034
H 1.223105 -1.577724 -2.112538
H 1.050137 1.355902 2.736279
H 1.243150 -5.101032 1.589142
H 0.353471 -5.248853 3.132797
H -0.519962 -4.822118 1.632701
H 5.780146 -0.252183 -0.508625
H 1.877219 4.598883 -0.991698
H 3.243121 -2.463474 -3.257223
H 1.344625 3.769124 3.241061
H 5.542230 -1.808849 -2.474905
H 1.756937 5.416978 1.387355


