%chk=000060502.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060502

0 1
 O   0.2799000      -1.072700       2.005500    
 O    4.247200     -0.9546000     -0.2638000    
 O   0.4797000      -2.304800      -2.470200    
 O   -1.713400      2.0900000E-02  -1.334400    
 N   0.2574000      -1.548400     -0.2728000    
 N    2.333900      -1.515300      -1.393800    
 N   -5.631300      0.1271000      0.2565000    
 C    2.119300     -0.2201000      0.6728000    
 C    2.864000     -0.1488000       2.025900    
 C   0.8109000     -0.9976000      0.8955000    
 C    1.852000       1.229700      0.2070000    
 C    3.019400     -0.9336000     -0.3405000    
 C   -1.120300      -2.021800     -0.2110000    
 C    3.194600      -1.533600       2.539100    
 C   0.9739000      -1.804700      -1.456500    
 C   0.6565000       1.849900      0.5471000    
 C    2.810300       1.895300     -0.5468000    
 C   -2.061300     -0.8965000     -0.5914000    
 C   -3.435300     -0.9379000      5.8899999E-02
 C   -4.334700      0.2032000     -0.4050000    
 C   0.4155000       3.157800      0.1264000    
 C    2.569200       3.203100     -0.9674000    
 C    1.371900       3.834400     -0.6308000    
 C   -6.489900       1.236800     -0.1620000    
 C   -5.469400      0.1322000       1.711600    
 H    3.796800      0.4228000       1.929900    
 H    2.262700      0.3783000       2.778600    
 H   -1.286700      -2.856100     -0.8995000    
 H   -1.351500      -2.357400      0.8047000    
 H    2.897500      -1.848500      -2.171200    
 H    3.716500      -1.440500       3.498800    
 H    3.864300      -2.091800       1.880100    
 H    2.316300      -2.155300       2.727800    
 H  -0.1047000       1.363400       1.147600    
 H    3.762600       1.450800     -0.8131000    
 H   -3.233600     -0.8881000       1.133700    
 H   -3.891400      -1.906300     -0.1764000    
 H   -3.844500       1.166500     -0.2083000    
 H   -4.467800      0.1307000      -1.492100    
 H  -0.5154000       3.650900      0.3911000    
 H    3.315600       3.732300      -1.552800    
 H    1.184900       4.853400     -0.9567000    
 H   -6.632700       1.223800      -1.248400    
 H   -6.074100       2.210900      0.1200000    
 H   -7.486100       1.143400      0.2847000    
 H   -6.443300      0.2530000       2.202300    
 H   -4.822400      0.9453000       2.060600    
 H   -5.089800     -0.8244000       2.083900    


%chk=000060502-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060502

0 1
O 0.123014 -0.341172 1.758264
O 4.274733 -0.929308 -0.610432
O 0.280995 -2.411365 -2.411060
O -1.848582 0.551312 -0.668597
N 0.201052 -1.360911 -0.310737
N 2.239435 -1.519752 -1.528600
N -5.974622 -0.177492 0.407564
C 2.247925 -0.120076 0.546108
C 2.981833 -0.261694 1.921127
C 0.795894 -0.602387 0.726601
C 2.258925 1.372911 0.071686
C 3.020215 -0.894600 -0.539845
C -1.209086 -1.751007 -0.139627
C 3.065493 -1.709452 2.446660
C 0.863209 -1.786632 -1.488076
C 1.069558 2.069774 -0.255816
C 3.507367 2.038942 -0.047541
C -2.183270 -0.557682 -0.182766
C -3.566169 -0.845772 0.375940
C -4.599150 0.252018 0.061009
C 1.131185 3.421470 -0.666142
C 3.561677 3.387271 -0.457972
C 2.371906 4.087877 -0.764177
C -6.996834 0.672682 -0.239728
C -6.201388 -0.286397 1.863992
H 3.999675 0.144980 1.802113
H 2.440909 0.376013 2.641504
H -1.460126 -2.438382 -0.968889
H -1.331434 -2.287195 0.817747
H 2.735278 -1.906849 -2.338300
H 3.600075 -1.726510 3.413081
H 3.621898 -2.363490 1.750748
H 2.062594 -2.139753 2.619204
H 0.091549 1.581709 -0.205877
H 4.438870 1.498993 0.152020
H -3.447288 -0.987017 1.470565
H -3.935049 -1.816523 -0.014529
H -4.305038 1.200155 0.575759
H -4.567938 0.461871 -1.023546
H 0.202164 3.946751 -0.913508
H 4.533062 3.886604 -0.544555
H 2.413513 5.135341 -1.082958
H -6.847161 0.666836 -1.333878
H -6.976877 1.736828 0.107525
H -8.002397 0.265883 -0.030472
H -7.231813 -0.637587 2.049616
H -6.063200 0.685307 2.403713
H -5.513379 -1.025418 2.310277


