%chk=000046985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046985

1 1
 O   0.7123000     -0.1783000      0.6536000    
 O    1.021600      0.2848000      -1.593600    
 N    2.758900      0.6328000     -8.8799998E-02
 N   -3.944800       1.000900      9.3300000E-02
 C    5.595100      0.3478000      0.3673000    
 C    5.008500      0.3343000      -1.043800    
 C    4.570900     -0.1433000       1.389800    
 C    3.696700       1.111400      -1.104300    
 C    3.264700      0.6405000       1.287900    
 C   -2.885200      1.7200001E-02  6.3800000E-02
 C   -5.313200      0.3615000      0.4639000    
 C   -4.109100       1.711300      -1.280600    
 C   -3.746500       2.156800       1.123800    
 C    1.462000      0.2510000     -0.4452000    
 C   -1.577800      0.3908000      0.3750000    
 C  -0.5929000     -0.5693000      0.3378000    
 C   -3.170700      -1.305300     -0.2756000    
 C  -0.8415000      -1.880800      7.6000001E-03
 C   -2.148900      -2.254200     -0.3037000    
 C   0.2396000      -2.909800     -2.8300000E-02
 H    6.489600     -0.2839000      0.4042000    
 H    5.908800       1.367000      0.6238000    
 H    5.728100      0.7609000      -1.751200    
 H    4.830300     -0.7047000      -1.347900    
 H    4.370300      -1.207500       1.213300    
 H    4.981600     -5.3700000E-02   2.401500    
 H    3.872200       2.176100     -0.9105000    
 H    3.261100       1.026800      -2.104800    
 H    2.533500      0.2265000       1.987100    
 H    3.425700       1.688600       1.566900    
 H   -5.190700     -0.2150000       1.386000    
 H   -6.037700       1.167400      0.6216000    
 H   -5.667300     -0.2500000     -0.3706000    
 H   -4.936800       2.422400      -1.204100    
 H   -3.172000       2.225800      -1.513700    
 H   -4.328800      0.9468000      -2.031900    
 H   -4.655800       2.766000       1.144000    
 H   -3.567300       1.706500       2.104800    
 H   -2.908200       2.782100      0.8049000    
 H   -1.305500       1.408800      0.6291000    
 H   -4.161400      -1.648600     -0.5512000    
 H   -2.385400      -3.279300     -0.5769000    
 H   0.8768000      -2.759500     -0.9057000    
 H   0.8556000      -2.857100      0.8757000    
 H  -0.1689000      -3.924900     -7.7699997E-02


%chk=000046985-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046985

1 1
O 0.800216 -0.469316 0.536001
O 0.765090 1.778431 -0.262752
N 2.769749 0.709561 0.328805
N -3.905794 0.977567 -0.332306
C 5.556002 0.340250 -0.473692
C 4.722285 1.536650 -0.988019
C 4.639388 -0.865202 -0.162968
C 3.603267 1.903414 0.010896
C 3.519817 -0.474405 0.828758
C -2.907023 -0.098238 0.111374
C -5.351889 0.492156 -0.275110
C -3.604249 1.392756 -1.780580
C -3.783398 2.201989 0.587636
C 1.422538 0.786681 0.157937
C -1.544614 0.261211 0.096294
C -0.585383 -0.695510 0.498760
C -3.332999 -1.376173 0.512912
C -0.969723 -2.007369 0.915589
C -2.346928 -2.311497 0.909578
C 0.069646 -3.016001 1.346357
H 6.320468 0.057071 -1.219218
H 6.099757 0.637109 0.446444
H 5.364142 2.424114 -1.139228
H 4.270137 1.287618 -1.967459
H 4.183040 -1.239654 -1.099886
H 5.222707 -1.696490 0.274868
H 4.048568 2.269784 0.958118
H 2.940350 2.687074 -0.386930
H 2.817678 -1.302875 0.990407
H 3.968405 -0.203232 1.806459
H -5.604840 0.212685 0.757650
H -6.002616 1.316209 -0.604653
H -5.477776 -0.368483 -0.947508
H -4.327742 2.164953 -2.086082
H -2.581972 1.789545 -1.840251
H -3.692577 0.504277 -2.422862
H -4.506845 2.965117 0.260178
H -3.996144 1.884518 1.618997
H -2.762118 2.601166 0.528972
H -1.175174 1.242146 -0.210732
H -4.381502 -1.678807 0.533145
H -2.665035 -3.310187 1.225421
H 0.799210 -3.204082 0.537812
H 0.647007 -2.644059 2.212405
H -0.395626 -3.974873 1.625063


