%chk=000121649.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121649

0 1
 O   -4.132900      0.1632000      0.7463000    
 O   -2.149400       1.796500       1.193600    
 O    2.671500       2.189700     -0.3551000    
 O    1.835100      -2.462200      0.4153000    
 O    3.596800     -0.4160000     -0.1987000    
 N   -2.787900     -0.6026000      -1.047600    
 C   -2.842500     -0.3240000      0.3900000    
 C   -4.193700     -0.8823000      -1.343100    
 C   -4.909800      0.1111000     -0.4560000    
 C   -1.818800      0.7105000      0.7229000    
 C  -0.3798000      0.4112000      0.4774000    
 C   4.8200000E-02 -0.8950000      0.5633000    
 C   0.4701000       1.451700      0.1738000    
 C    1.817300       1.171600     -5.5500001E-02
 C    1.395300      -1.175200      0.3340000    
 C    2.279900     -0.1420000      2.4499999E-02
 C    2.835600       2.513400      -1.734400    
 C    1.800200      -3.235700     -0.7824000    
 C    4.464900     -0.3838000      0.9318000    
 H   -2.688300      -1.227500      0.9882000    
 H   -4.437400      -1.909700      -1.047400    
 H   -4.433200     -0.7522000      -2.401500    
 H   -4.925500       1.114400     -0.8963000    
 H   -5.932900     -0.1930000     -0.2193000    
 H   -2.210600      -1.419300      -1.240200    
 H  -0.6115000      -1.716400      0.8204000    
 H   0.1153000       2.476200      0.1064000    
 H    1.883600       2.835300      -2.168400    
 H    3.229900       1.655200      -2.287600    
 H    3.550800       3.336900      -1.810200    
 H    2.431400      -2.781900      -1.553000    
 H   0.7724000      -3.331600      -1.146900    
 H    2.186100      -4.233600     -0.5572000    
 H    4.159700      -1.128700       1.673500    
 H    4.473500      0.6134000       1.382900    
 H    5.476700     -0.6226000      0.5933000    


%chk=000121649-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121649

0 1
O -4.174998 -0.046101 1.216790
O -2.493116 1.645769 -0.255976
O 2.573866 2.186748 -0.305505
O 1.752159 -2.687550 0.080020
O 3.621867 -0.500997 -0.104238
N -3.538343 -1.283712 -0.701383
C -3.010454 -0.618453 0.498236
C -4.656423 -0.392910 -1.144209
C -5.194892 0.264209 0.176529
C -2.036136 0.505698 0.048252
C -0.571624 0.206174 -0.024332
C -0.061335 -1.116476 0.009413
C 0.326078 1.297794 -0.162155
C 1.709802 1.070378 -0.222321
C 1.328801 -1.353993 -0.045937
C 2.233298 -0.254612 -0.119023
C 3.398248 2.244990 -1.536091
C 2.699603 -3.195623 -0.938371
C 4.330119 0.052662 1.080558
H -2.524882 -1.325310 1.188751
H -5.417557 -0.980412 -1.682593
H -4.262237 0.383962 -1.818299
H -5.287777 1.358137 0.076735
H -6.147735 -0.176665 0.520681
H -3.863431 -2.237699 -0.491143
H -0.719014 -1.988127 0.057673
H -0.063574 2.317894 -0.223636
H 2.745675 2.339309 -2.424272
H 4.035816 1.347344 -1.629187
H 4.016935 3.148630 -1.428593
H 3.626668 -2.599616 -0.946243
H 2.224293 -3.179566 -1.938065
H 2.906192 -4.234457 -0.639849
H 3.962946 -0.441949 1.997871
H 4.178665 1.144171 1.146133
H 5.392597 -0.184642 0.920578


