%chk=000002059.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002059

0 1
 O   0.5486000      -3.038400      -1.193000    
 O    4.876500       2.918300      -1.329100    
 O    6.921400       2.138000      0.3842000    
 N  -0.7568000      -2.325200      0.5758000    
 N    1.072500      0.2394000       2.249900    
 C   -3.520600      -1.312800     -2.6699999E-02
 C   -2.904300      -2.593100     -0.5983000    
 C   -4.549300     -0.7168000     -0.9910000    
 C   -1.863200      -3.208500      0.3310000    
 C   -5.140600      0.5619000     -0.4549000    
 C   -6.283100      0.5083000      0.3300000    
 C   -4.533200       1.772200     -0.7550000    
 C   0.3855000      -2.306200     -0.2181000    
 C   -6.830500       1.691700      0.8258000    
 C   -5.080400       2.955600     -0.2592000    
 C   -6.229200       2.915300      0.5312000    
 C    1.429400      -1.302700      0.2022000    
 C    3.704200     -0.3706000     -0.2905000    
 C    2.561500      -1.266400     -0.5275000    
 C    3.748400      0.8599000     -0.9280000    
 C    4.717700     -0.7724000      0.5663000    
 C    4.831800       1.709100     -0.7033000    
 C    5.801200      7.6700002E-02  0.7911000    
 C    5.858300       1.317500      0.1563000    
 C    1.234500     -0.4510000       1.331200    
 H   -2.735100     -0.5723000      0.1682000    
 H   -3.994400      -1.532800      0.9382000    
 H   -3.696400      -3.329500     -0.7795000    
 H   -2.442800      -2.371600      -1.568700    
 H   -5.351300      -1.441500      -1.181800    
 H   -4.084700     -0.5235000      -1.966500    
 H   -1.489600      -4.142500     -0.1027000    
 H   -2.311800      -3.446600       1.301300    
 H  -0.8414000      -1.696300       1.367600    
 H   -6.757600     -0.4399000      0.5665000    
 H   -3.637300       1.813900      -1.367900    
 H   -7.724500       1.660300       1.441600    
 H   -4.611900       3.908400     -0.4879000    
 H   -6.655100       3.836600      0.9175000    
 H    2.704900      -1.924100      -1.382000    
 H    2.951500       1.170600      -1.599600    
 H    4.685200      -1.736800       1.066400    
 H    6.594000     -0.2409000       1.463200    
 H    5.693500       3.372500      -1.058800    
 H    7.530700       1.702100       1.004500    


%chk=000002059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002059

0 1
O 0.605377 -2.607176 -1.562148
O 7.045646 0.497349 -2.020498
O 7.460050 1.965894 0.211643
N -0.728901 -2.250347 0.312869
N 0.880314 -0.126642 2.542412
C -3.641911 -1.247676 -0.212397
C -2.877932 -2.324348 -1.011911
C -4.694017 -0.499989 -1.079115
C -1.831004 -3.098898 -0.175543
C -5.442171 0.568530 -0.295369
C -6.672794 0.275346 0.347382
C -4.902218 1.873477 -0.152081
C 0.418590 -2.059783 -0.429912
C -7.344854 1.254877 1.113683
C -5.569481 2.856752 0.612267
C -6.794456 2.550394 1.249724
C 1.470014 -1.153615 0.193830
C 3.828155 -0.169404 -0.239113
C 2.632516 -0.954072 -0.525661
C 4.860494 -0.189328 -1.228344
C 4.030718 0.601666 0.946409
C 6.049062 0.529705 -1.044732
C 5.223257 1.324829 1.133147
C 6.228034 1.290104 0.144725
C 1.185045 -0.576889 1.471668
H -2.930159 -0.505421 0.201119
H -4.154214 -1.712540 0.655059
H -3.597884 -3.061494 -1.423078
H -2.364982 -1.864514 -1.878686
H -5.407596 -1.241874 -1.488734
H -4.173669 -0.044681 -1.944903
H -1.379849 -3.892345 -0.796521
H -2.314768 -3.571464 0.700203
H -0.830075 -1.769798 1.209917
H -7.109084 -0.726210 0.241411
H -3.954657 2.120643 -0.647679
H -8.296612 1.010310 1.599410
H -5.138131 3.859874 0.708108
H -7.314818 3.312205 1.841105
H 2.627858 -1.499685 -1.482325
H 4.739529 -0.770239 -2.148337
H 3.264389 0.639824 1.723015
H 5.368625 1.913835 2.046989
H 7.811607 1.056972 -1.726015
H 7.563155 2.481749 1.047008


