%chk=000051852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051852

0 1
 O   -7.224400     -0.6364000       1.184400    
 O   -5.424900      -1.680100      0.2716000    
 N   5.2000000E-03  0.4152000      -1.328000    
 N    3.688700     -8.2000002E-02  0.6090000    
 C    1.253800      0.2464000     -0.6705000    
 C    1.758100      -1.040900     -0.4599000    
 C    1.968100       1.369400     -0.2407000    
 C    2.996600      -1.160300      0.1931000    
 C    3.198300       1.155700      0.4036000    
 C    3.504000      -2.439300      0.4057000    
 C    1.061500      -2.187100     -0.8810000    
 C   -1.310000      0.4878000     -0.8505000    
 C    1.485000       2.674600     -0.4390000    
 C    2.814500      -3.580400     -1.1700000E-02
 C    3.914200       2.269800      0.8338000    
 C    1.590700      -3.454500     -0.6564000    
 C    4.819200      -2.625600       1.097100    
 C    2.220000       3.771400      6.9999998E-04
 C   -1.570500      0.3864000      0.5210000    
 C   -2.376300      0.6627000      -1.740000    
 C   -3.937200      0.6333000      0.1039000    
 C    3.437000       3.568300      0.6384000    
 C   -2.879900      0.4588000      0.9965000    
 C   -3.685500      0.7353000      -1.264300    
 C   -5.337200      0.7097000      0.6122000    
 C   -5.968900     -0.6582000      0.6708000    
 H   0.1007000      0.4955000      -2.336100    
 H   0.1044000      -2.124500      -1.392300    
 H   0.5395000       2.869600     -0.9383000    
 H    3.221000      -4.573600      0.1598000    
 H    4.870700       2.136700       1.336200    
 H    1.051200      -4.338000     -0.9838000    
 H    4.780700      -2.206600       2.108300    
 H    5.087800      -3.683300       1.191600    
 H    5.619200      -2.134600      0.5328000    
 H  -0.7665000      0.2496000       1.239500    
 H   -2.195700      0.7433000      -2.809200    
 H    1.845400       4.778500     -0.1546000    
 H    4.018800       4.417300      0.9852000    
 H   -3.063000      0.3759000       2.064600    
 H   -4.500900      0.8693000      -1.970300    
 H   -5.945200       1.349100     -3.7999999E-02
 H   -5.351600       1.146900       1.617300    
 H   -7.628000      -1.530300       1.202400    


%chk=000051852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051852

0 1
O -6.229305 -2.232008 0.645017
O -6.634473 -0.872997 -1.194387
N -0.065686 1.008001 -1.088836
N 3.797459 -0.074162 0.463703
C 1.179847 0.626048 -0.538687
C 1.491004 -0.735844 -0.214369
C 2.192080 1.630465 -0.379070
C 2.819636 -1.024305 0.324480
C 3.503664 1.213567 0.099803
C 3.162261 -2.386547 0.701645
C 0.587479 -1.828621 -0.451969
C -1.370709 0.727017 -0.609027
C 1.969965 3.026692 -0.646413
C 2.226331 -3.398879 0.487676
C 4.544978 2.199055 0.222345
C 0.949717 -3.126415 -0.107656
C 4.524719 -2.669056 1.294257
C 2.999895 3.955587 -0.508478
C -1.614238 0.210323 0.691779
C -2.480422 1.022890 -1.449211
C -4.046148 0.291361 0.297478
C 4.305727 3.535485 -0.083869
C -2.937364 -0.008350 1.125738
C -3.796607 0.812346 -0.998129
C -5.477052 0.060987 0.787194
C -6.172974 -1.009752 -0.039965
H -0.021181 1.723001 -1.817920
H -0.385009 -1.637435 -0.911854
H 0.969685 3.376772 -0.926686
H 2.478924 -4.429423 0.763829
H 5.521221 1.848067 0.570783
H 0.257592 -3.954189 -0.297162
H 4.689241 -2.071385 2.208588
H 4.635565 -3.739543 1.538741
H 5.326317 -2.373668 0.594000
H -0.776910 -0.008981 1.360300
H -2.306057 1.410312 -2.460809
H 2.811200 5.016085 -0.708067
H 5.106453 4.276607 0.014709
H -3.106748 -0.411182 2.131259
H -4.639129 1.034064 -1.662948
H -6.070110 0.987696 0.682118
H -5.478231 -0.241731 1.845554
H -6.654006 -2.917155 0.059414


