%chk=000040348.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040348

0 1
 O    3.224600       1.602900     -0.4160000    
 O    2.334400     -0.6179000     -0.7069000    
 N   -5.134400     -0.1795000     -5.2000001E-02
 N   -1.553800      0.8432000      0.1020000    
 C   -3.959400      0.5430000      0.4229000    
 C   0.8577000       1.206600     -0.1310000    
 C   -2.723500      0.1093000     -0.3598000    
 C  -0.3579000      0.4218000     -0.6178000    
 C    2.116300      0.8003000     -0.8822000    
 C   -6.332100      0.2562000      0.6679000    
 C   -4.947300      -1.623200      9.9900000E-02
 C    4.107700      0.6382000     -3.7799999E-02
 C    3.599400     -0.6297000     -0.2039000    
 C   -6.545400       1.753400      0.5234000    
 C   -6.136600      -2.391900     -0.4506000    
 C    5.373300      0.8528000      0.4677000    
 C    4.328600      -1.753200      0.1268000    
 C    6.133800     -0.2683000      0.8086000    
 C    5.614500      -1.563900      0.6389000    
 H   -4.063600       1.621200      0.2593000    
 H   -3.804100      0.3846000       1.498800    
 H    1.001900       1.030100      0.9434000    
 H   0.6946000       2.285700     -0.2462000    
 H   -2.881000      0.2830000      -1.431500    
 H   -2.498800     -0.9495000     -0.2083000    
 H  -0.1935000     -0.6518000     -0.4671000    
 H  -0.4890000      0.5948000      -1.692900    
 H    1.997200      0.9917000      -1.956700    
 H   -1.423600      0.6952000       1.102500    
 H   -6.290000     -8.2999999E-03   1.732000    
 H   -7.227100     -0.2119000      0.2453000    
 H   -4.766500      -1.909600       1.143500    
 H   -4.106100      -1.984200     -0.4966000    
 H   -7.557600       2.011700      0.8551000    
 H   -6.452600       2.080300     -0.5180000    
 H   -5.859000       2.337000       1.144900    
 H   -5.879000      -3.453700     -0.5392000    
 H   -6.420600      -2.041600      -1.449000    
 H   -7.009700      -2.339000      0.2070000    
 H    5.769100       1.853400      0.5989000    
 H    3.923800      -2.750300     -3.5000001E-03
 H    7.135600     -0.1398000       1.209600    
 H    6.219700      -2.424500      0.9106000    


%chk=000040348-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040348

0 1
O 3.219123 1.589172 0.219242
O 2.551824 -0.557788 -0.623981
N -5.313530 -0.263393 0.197017
N -1.589212 0.444273 0.495453
C -4.048245 0.261266 0.767473
C 0.831844 0.942130 0.370815
C -2.835024 -0.050948 -0.132186
C -0.375617 0.289985 -0.334136
C 2.098942 0.865174 -0.460917
C -6.490875 0.596619 0.492520
C -5.541601 -1.696188 0.528674
C 4.331454 0.713021 0.162855
C 3.938565 -0.550881 -0.331534
C -6.512003 1.889556 -0.345135
C -6.424675 -2.422071 -0.504748
C 5.644759 0.976863 0.558815
C 4.840836 -1.610361 -0.453293
C 6.578994 -0.090753 0.434207
C 6.185902 -1.355733 -0.060639
H -4.116726 1.358020 0.869965
H -3.862807 -0.139755 1.798230
H 1.026519 0.456530 1.346017
H 0.603859 2.006245 0.565360
H -2.974738 0.469991 -1.097566
H -2.804636 -1.145425 -0.362291
H -0.134127 -0.773733 -0.574199
H -0.560581 0.802304 -1.299938
H 1.987945 1.293340 -1.478217
H -1.454243 0.034468 1.431863
H -6.549296 0.850274 1.582209
H -7.399992 0.012812 0.259348
H -5.983791 -1.811787 1.551826
H -4.554712 -2.194731 0.557756
H -7.412491 2.488026 -0.111196
H -6.517921 1.643301 -1.421167
H -5.628282 2.522371 -0.145921
H -6.547806 -3.486493 -0.229541
H -5.961801 -2.364487 -1.505222
H -7.433537 -1.975760 -0.571629
H 5.936111 1.956561 0.946370
H 4.525284 -2.586436 -0.831126
H 7.620399 0.077103 0.727595
H 6.925908 -2.158087 -0.147029


