%chk=000048328.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048328

1 1
 O  -0.2978000      0.2363000     -8.3999997E-03
 O   0.6210000       1.454900       1.726000    
 N   -3.986700     -3.5500001E-02  0.2265000    
 C    2.038000      0.5301000     -9.8000001E-03
 C    1.967600       1.203500      -1.406900    
 C    3.199700       1.164500      0.8012000    
 C    1.930000       2.732200      -1.353100    
 C    3.177100       2.694700      0.8260000    
 C    3.111600       3.289400     -0.5730000    
 C    2.212200     -0.9988000     -6.3000001E-02
 C   0.7224000      0.8099000      0.6911000    
 C   -2.630600     -0.2649000     -0.3328000    
 C   -4.293300       1.465800      0.3118000    
 C   -5.057800     -0.6924000     -0.6548000    
 C   -1.604100      0.4230000      0.5454000    
 C   -4.100900     -0.6272000       1.637900    
 C    2.258900      -1.730700       1.119900    
 C    2.321700      -1.639800      -1.293600    
 C   -4.187600       2.075200      -1.069000    
 C   -4.823800      -2.186800     -0.6927000    
 C    2.416500      -3.115800       1.071800    
 C    2.479200      -3.024900      -1.341600    
 C    2.526600      -3.762800     -0.1589000    
 H    1.099100      0.8597000      -1.983000    
 H    2.859500      0.9359000      -1.990200    
 H    3.202900      0.8128000       1.840600    
 H    4.157000      0.8402000      0.3693000    
 H    1.946400       3.132400      -2.373600    
 H   0.9911000       3.070000     -0.8985000    
 H    2.342200       3.073000       1.423600    
 H    4.086600       3.053500       1.323100    
 H    4.042700       3.068600      -1.109200    
 H    3.032500       4.380400     -0.5086000    
 H   -2.575300      4.5699999E-02  -1.381000    
 H   -2.404700      -1.336800     -0.3195000    
 H   -5.319600       1.562100      0.6878000    
 H   -3.641000       1.948000       1.044200    
 H   -6.043000     -0.4493000     -0.2423000    
 H   -4.974000     -0.3074000      -1.673500    
 H   -1.591900      8.7000001E-03   1.558400    
 H   -1.754200       1.503500      0.5959000    
 H   -3.609100      -1.603300       1.669800    
 H   -5.161100     -0.7108000       1.897200    
 H   -3.620400      5.0799999E-02   2.349800    
 H    2.166700      -1.250000       2.089500    
 H    2.283200      -1.120200      -2.243700    
 H   -4.406500       3.147000     -0.9804000    
 H   -3.187100       2.021100      -1.503900    
 H   -4.918500       1.695300      -1.785300    
 H   -5.621700      -2.644300      -1.290800    
 H   -3.890700      -2.469100      -1.186200    
 H   -4.874700      -2.668700      0.2864000    
 H    2.451200      -3.690800       1.992500    
 H    2.562900      -3.529900      -2.299500    
 H    2.648100      -4.841400     -0.1963000    


%chk=000048328-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048328

1 1
O -0.343953 0.489905 -0.082587
O 0.685681 1.233841 1.854862
N -4.067026 -0.073325 0.205517
C 2.114487 0.492675 -0.067688
C 2.015193 0.940380 -1.556133
C 3.304309 1.245691 0.614503
C 1.901215 2.475689 -1.702113
C 3.229864 2.781648 0.448217
C 3.096255 3.194745 -1.034950
C 2.295009 -1.045247 0.100084
C 0.816638 0.814604 0.687443
C -2.629809 0.046315 -0.339018
C -4.578042 1.280987 0.783941
C -5.015229 -0.509464 -0.949199
C -1.612912 0.621209 0.656431
C -4.123930 -1.104850 1.332278
C 2.368418 -1.596861 1.408257
C 2.414879 -1.918925 -1.009238
C -4.566660 2.462604 -0.191650
C -4.732063 -1.890810 -1.549784
C 2.566538 -2.980563 1.601142
C 2.619041 -3.305059 -0.816619
C 2.695743 -3.842663 0.487363
H 1.164767 0.440827 -2.053369
H 2.940777 0.607315 -2.065182
H 3.349107 0.986201 1.686619
H 4.232372 0.861602 0.147962
H 1.847315 2.736464 -2.776146
H 0.953217 2.828555 -1.243512
H 2.370464 3.174431 1.026447
H 4.137487 3.233656 0.890110
H 4.026666 2.931183 -1.577990
H 2.978879 4.291639 -1.117145
H -2.669788 0.671882 -1.244970
H -2.306921 -0.964989 -0.631675
H -5.601242 1.076767 1.145864
H -3.947562 1.495803 1.662938
H -6.034466 -0.467969 -0.525678
H -4.928843 0.270764 -1.722106
H -1.548450 0.050184 1.600997
H -1.788714 1.683845 0.903277
H -3.638664 -2.035384 1.006239
H -5.178066 -1.299041 1.583896
H -3.603753 -0.709965 2.216907
H 2.276660 -0.942633 2.283656
H 2.363321 -1.530198 -2.030087
H -4.917670 3.352186 0.360599
H -3.557920 2.699534 -0.569649
H -5.249322 2.329418 -1.046528
H -5.472372 -2.059184 -2.351850
H -3.736593 -1.964492 -2.017377
H -4.854734 -2.713006 -0.826173
H 2.630880 -3.383813 2.617776
H 2.726483 -3.962211 -1.686778
H 2.861538 -4.915296 0.634466


