%chk=000023772.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023772

0 1
 O    2.670200      -1.938800      0.5065000    
 O   -2.628500      -1.954200     -0.5216000    
 N    1.846900     -3.4699999E-02  0.1105000    
 N   -1.856400     -3.6699999E-02 -0.1018000    
 N    2.706100     -0.7455000      0.8300000    
 N   -2.677000     -0.7607000     -0.8422000    
 C   0.4887000     -3.6899999E-02  0.5995000    
 C  -0.4787000     -7.1000000E-03 -0.5769000    
 C    2.327800       1.348500     -6.5200001E-02
 C   -2.355700       1.335200      7.0200004E-02
 C    3.375100       1.430200      -1.162900    
 C   -3.418600       1.400700       1.153800    
 H   0.2756000     -0.9561000       1.167100    
 H   0.3046000      0.7863000       1.304000    
 H  -0.2997000      0.8489000      -1.242400    
 H  -0.2624000     -0.8953000      -1.191500    
 H    1.506100       2.007300     -0.3757000    
 H    2.716300       1.771100      0.8718000    
 H   -1.546300       2.001200      0.3985000    
 H   -2.735300       1.758900     -0.8700000    
 H    4.276100      0.8624000     -0.9087000    
 H    2.984000       1.047900      -2.112000    
 H    3.673300       2.472000      -1.320300    
 H   -4.308600      0.8220000      0.8854000    
 H   -3.035900       1.020500       2.107300    
 H   -3.732200       2.438200       1.310000    


%chk=000023772-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023772

0 1
O 1.720758 -1.786755 1.622797
O -1.715557 -1.792436 -1.643128
N 1.785502 0.264968 0.667891
N -1.797148 0.249518 -0.668508
N 2.465899 -0.847028 1.164423
N -2.468233 -0.863352 -1.175396
C 0.315185 0.380940 0.707547
C -0.327864 0.378573 -0.707437
C 2.669325 1.326531 0.138172
C -2.689847 1.299445 -0.130606
C 3.059486 1.127170 -1.342735
C -3.076628 1.086735 1.349307
H -0.043587 -0.494983 1.279820
H 0.049849 1.305225 1.255077
H -0.070338 1.305594 -1.254229
H 0.038751 -0.493496 -1.280603
H 2.156606 2.295661 0.281337
H 3.579741 1.330309 0.762435
H -2.186300 2.274240 -0.267974
H -3.600968 1.298904 -0.753859
H 3.586514 0.166247 -1.470484
H 2.178527 1.129266 -2.007659
H 3.735314 1.940006 -1.665348
H -3.593861 0.119769 1.471394
H -2.195263 1.093586 2.013628
H -3.760361 1.890664 1.677539


