%chk=000058866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058866

0 1
 O   0.1864000      -2.362800       1.017900    
 O   0.4486000       1.165700      0.6502000    
 O  -0.3419000     -0.2021000       2.320100    
 N  -0.1547000       3.662900     -0.5436000    
 C   0.4883000      -1.190600      0.2458000    
 C  -0.4490000      -1.187900     -0.9917000    
 C    1.980000      -1.151500     -8.1699997E-02
 C   -1.928000      -1.226700     -0.6675000    
 C   0.1362000     -4.3699998E-02   1.202200    
 C    2.365000     -0.9976000      -1.395000    
 C    2.886600      -1.271200      0.9480000    
 C   0.1839000       2.309900       1.468100    
 C   0.5879000       3.560700      0.7038000    
 C   -2.560100      -2.451400     -0.5463000    
 C   -2.613300     -3.6400001E-02 -0.5004000    
 C    3.726900     -0.9619000      -1.694100    
 C    4.248600      -1.235200      0.6490000    
 C    4.668700      -1.080800     -0.6721000    
 C   -3.922300      -2.486900     -0.2480000    
 C   -3.975500     -7.1999997E-02 -0.2019000    
 C   -4.630000      -1.297400     -7.5800002E-02
 C   -1.596100       3.711600     -0.2864000    
 C   0.2638000       4.845300      -1.300400    
 H  -0.2291000      -2.056200      -1.628800    
 H  -0.2775000     -0.2966000      -1.610700    
 H    1.679200     -0.9008000      -2.227100    
 H    2.584000      -1.377200       1.984700    
 H   0.8165000       2.240000       2.362300    
 H  -0.8550000       2.317800       1.812000    
 H   0.7885000      -2.424900       1.776600    
 H    1.658600       3.491100      0.4737000    
 H   0.4402000       4.443200       1.338700    
 H   -2.018400      -3.383300     -0.6787000    
 H   -2.113500      0.9125000     -0.6317000    
 H    4.055000     -0.8412000      -2.722500    
 H    4.982100      -1.323800       1.445000    
 H    5.729200      -1.051900     -0.9048000    
 H   -4.432100      -3.441000     -0.1502000    
 H   -4.527600      0.8547000     -7.5599998E-02
 H   -5.691000      -1.325000      0.1548000    
 H   -1.991100       2.818600      0.1946000    
 H   -2.140700       3.797100      -1.234400    
 H   -1.868800       4.575600      0.3318000    
 H    1.333600       4.794500      -1.531700    
 H   7.2300002E-02   5.776000     -0.7542000    
 H  -0.2620000       4.893400      -2.260500    


%chk=000058866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058866

0 1
O 0.324290 -2.425118 1.179354
O 0.549320 1.181654 0.626804
O 0.049595 -0.113099 2.492949
N -0.865584 3.594179 -0.546587
C 0.708811 -1.247679 0.405410
C -0.156997 -1.207832 -0.901933
C 2.216067 -1.317936 0.061252
C -1.650611 -1.068549 -0.653086
C 0.407473 -0.012282 1.291542
C 2.850093 -0.302212 -0.700490
C 2.972797 -2.437034 0.483645
C 0.226877 2.419780 1.399377
C 0.256236 3.589901 0.417962
C -2.429779 -2.200653 -0.298318
C -2.290004 0.194428 -0.766366
C 4.219673 -0.406355 -1.027820
C 4.343681 -2.538839 0.155004
C 4.973373 -1.524899 -0.601553
C -3.817911 -2.077434 -0.066496
C -3.680184 0.316653 -0.535655
C -4.449394 -0.817165 -0.186493
C -2.158294 3.963557 0.067585
C -0.568643 4.408920 -1.744244
H 0.066934 -2.153365 -1.429085
H 0.207459 -0.376827 -1.528967
H 2.281091 0.575791 -1.023167
H 2.467128 -3.216977 1.058996
H 0.994861 2.542290 2.185004
H -0.752300 2.278008 1.887990
H 0.037305 -2.109383 2.081919
H 1.203581 3.539888 -0.149663
H 0.291376 4.533850 1.024811
H -1.937301 -3.173777 -0.199288
H -1.700079 1.084205 -1.025597
H 4.698996 0.385825 -1.614495
H 4.917433 -3.411171 0.488399
H 6.036281 -1.604003 -0.856592
H -4.406592 -2.961563 0.204443
H -4.164040 1.295823 -0.634550
H -5.527489 -0.721562 -0.012502
H -2.424911 3.255723 0.871077
H -2.954123 3.911347 -0.696054
H -2.157624 4.997405 0.497694
H 0.351631 4.037861 -2.228785
H -0.431480 5.497290 -1.521150
H -1.396619 4.313936 -2.468786


