%chk=000027382.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027382

0 1
 O    2.333400     -0.1511000       1.026700    
 O   0.8534000       2.190600      0.8054000    
 O   -3.624600      -1.442000      -1.253000    
 O   -5.286300      0.5115000      -2.105800    
 N   -4.708800      0.5528000     -0.8299000    
 C    4.353000     -0.1549000     -0.2596000    
 C    3.022700     -0.8483000     -1.9000000E-03
 C    5.142300     -0.8445000      -1.368800    
 C   0.9637000     -0.1937000      0.9921000    
 C   -1.814400     -0.3053000      0.9266000    
 C   0.2295000      0.9822000      0.8814000    
 C   -1.164000      0.9262000      0.8486000    
 C   -3.304000     -0.3652000      0.8909000    
 C   0.3217000      -1.424800       1.070300    
 C   -1.071600      -1.480800       1.037500    
 C    6.450300     -0.1237000      -1.652700    
 C   -3.881200     -0.4975000     -0.5106000    
 C    1.185000       2.668300     -0.4971000    
 H    4.939000     -0.1338000      0.6677000    
 H    4.169900      0.8947000     -0.5214000    
 H    2.431800     -0.8632000     -0.9270000    
 H    3.192500      -1.881600      0.3216000    
 H    5.355400      -1.881600      -1.084600    
 H    4.545000     -0.8760000      -2.287500    
 H   -1.738400       1.845400      0.7608000    
 H   -3.664100      -1.225000       1.470800    
 H   -3.719100      0.5144000       1.399300    
 H   0.8876000      -2.347100       1.165300    
 H   -1.566400      -2.446500       1.099100    
 H    6.268800      0.9072000      -1.973300    
 H    7.086200     -9.9900000E-02 -0.7620000    
 H    6.999900     -0.6352000      -2.449000    
 H   0.2751000       2.858600      -1.074800    
 H    1.820700       1.951400      -1.025700    
 H    1.733400       3.607900     -0.3880000    
 H   -5.036000       1.277900     -0.2021000    
 H   -4.656500       1.065500      -2.597400    


%chk=000027382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027382

0 1
O 2.212657 0.489323 -0.031716
O 0.642208 2.571568 1.127346
O -4.216220 -1.899775 -0.576810
O -5.817675 -0.180082 -1.801180
N -5.071239 0.209555 -0.633533
C 4.472231 -0.140076 -0.628273
C 3.027860 -0.635658 -0.531312
C 5.428983 -1.242690 -1.140027
C 0.842697 0.260067 0.183797
C -1.929012 -0.085496 0.775038
C 0.088543 1.335557 0.746494
C -1.279313 1.143870 1.036061
C -3.407209 -0.265112 1.123556
C 0.187523 -0.963562 -0.098790
C -1.181765 -1.137640 0.194991
C 6.889574 -0.752576 -1.237363
C -4.239200 -0.722108 -0.068898
C 1.430397 3.312944 0.120804
H 4.799953 0.211017 0.368897
H 4.510788 0.733755 -1.307411
H 2.650394 -0.957210 -1.524752
H 2.946302 -1.489766 0.172944
H 5.377898 -2.120015 -0.463417
H 5.089906 -1.594592 -2.135712
H -1.815624 1.988914 1.482428
H -3.526717 -1.043479 1.900830
H -3.813642 0.674906 1.540359
H 0.743851 -1.797172 -0.537141
H -1.674438 -2.087876 -0.036008
H 6.974466 0.105240 -1.930582
H 7.263826 -0.424311 -0.249685
H 7.558607 -1.551830 -1.604503
H 0.809299 3.531009 -0.770111
H 2.327913 2.746682 -0.175265
H 1.709927 4.253486 0.619804
H -5.165246 1.202687 -0.430433
H -5.523601 -1.146653 -1.888528


