%chk=000039724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039724

0 1
 O   -5.873400     -0.7983000      0.6495000    
 O    5.904600      -1.133300     -7.5900003E-02
 N   -1.137800       1.921900     -0.3993000    
 N   0.5304000      0.2491000     -3.9799999E-02
 N    1.037000       2.481000     -0.7455000    
 C   -2.339600       1.231400     -0.1336000    
 C   -4.714400     -0.1326000      0.3928000    
 C   -3.444900       1.922800      0.3609000    
 C   -2.420400     -0.1413000     -0.3650000    
 C   -4.632700       1.240500      0.6241000    
 C   -3.608200     -0.8236000     -0.1018000    
 C    1.884700     -9.9299997E-02 -4.8900001E-02
 C    4.586200     -0.7950000     -6.6600002E-02
 C   0.1740000       1.468300     -0.3651000    
 C    2.654200      6.3199997E-02   1.103100    
 C    2.465900     -0.6096000      -1.209700    
 C    4.005000     -0.2847000       1.094100    
 C    3.816700     -0.9575000      -1.218500    
 C   -6.155500      -1.944200     -0.1524000    
 C    6.769500     -0.3984000      0.7887000    
 C   -7.656000      -2.106100     -0.2705000    
 C    8.154600     -0.3544000      0.1794000    
 H   -3.394200       2.992600      0.5464000    
 H   -1.594900     -0.7099000     -0.7801000    
 H   -5.491200       1.783900       1.009500    
 H   -3.623500      -1.895200     -0.2772000    
 H   -1.267600       2.925300     -0.4997000    
 H    2.208300      0.4540000       2.014100    
 H    1.874300     -0.7403000      -2.112100    
 H    4.561400     -0.1683000       2.019500    
 H    4.264000      -1.354200      -2.125800    
 H   -5.755500      -1.839700      -1.168900    
 H   -5.723200      -2.831600      0.3230000    
 H    6.433900      0.6384000      0.9171000    
 H    6.809500     -0.8948000       1.764600    
 H   -7.909300      -2.983800     -0.8719000    
 H   -8.111200      -2.213700      0.7196000    
 H   -8.104500      -1.220100     -0.7320000    
 H    8.848500      0.1939000      0.8228000    
 H    8.540900      -1.367600      2.6699999E-02
 H    8.128600      0.1273000     -0.8037000    
 H    2.040900       2.346700     -0.7913000    
 H   0.6891000       3.400300     -0.9959000    


%chk=000039724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039724

0 1
O -5.957247 -0.852931 -0.011592
O 5.946931 -0.655310 -0.382005
N -1.325395 2.390100 -0.420590
N 0.515938 0.962815 0.049516
N 0.829695 3.223886 -0.747240
C -2.430150 1.501766 -0.295863
C -4.748243 -0.135854 -0.094491
C -3.733114 2.061295 -0.431108
C -2.304590 0.111758 -0.051150
C -4.878357 1.255518 -0.329475
C -3.457249 -0.700377 0.042014
C 1.890762 0.619409 -0.056065
C 4.608541 -0.254152 -0.200424
C 0.046111 2.117014 -0.372507
C 2.556997 0.101613 1.086103
C 2.618463 0.671394 -1.286492
C 3.901492 -0.326383 1.025973
C 3.955150 0.238848 -1.357010
C -5.870780 -2.302038 0.243240
C 6.659101 -1.194390 0.789809
C -7.302648 -2.828814 0.296246
C 8.068492 -1.553536 0.325508
H -3.851016 3.136619 -0.621181
H -1.304634 -0.306979 0.077976
H -5.880823 1.682014 -0.431557
H -3.325775 -1.770196 0.230092
H -1.571430 3.379995 -0.468740
H 1.997518 0.035436 2.024893
H 2.113904 1.017175 -2.196203
H 4.376628 -0.715265 1.931750
H 4.509373 0.263528 -2.300942
H -5.293261 -2.788458 -0.570482
H -5.341544 -2.478589 1.202943
H 6.683591 -0.429374 1.594069
H 6.122392 -2.087798 1.172139
H -7.301068 -3.917504 0.487238
H -7.869829 -2.332151 1.101969
H -7.821785 -2.641237 -0.659240
H 8.653822 -1.965940 1.167581
H 8.031611 -2.307974 -0.478812
H 8.590025 -0.661031 -0.060521
H 1.838852 3.141970 -0.638468
H 0.477745 3.937228 -1.382200


