%chk=000096946.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096946

0 1
 O    1.306000      -1.479200       2.085100    
 O   -3.441300     -0.2608000      -2.545000    
 N  -0.1213000       1.573700     -0.5123000    
 C   0.9042000       1.930400      0.4935000    
 C   -1.499000       1.754200     -1.2000001E-03
 C   0.6928000       3.327700       1.102700    
 C   -1.754900       3.162200      0.5634000    
 C  -0.7248000       3.534500       1.624000    
 C   0.9988000      0.8483000       1.578900    
 C   -2.579800       1.387100      -1.026000    
 C   0.1331000       2.255500      -1.784100    
 C    1.237400     -0.5484000       1.003300    
 C   -2.394800     -1.6600000E-02  -1.603400    
 C    2.509800     -0.6737000      0.1981000    
 C   -2.430500      -1.117900     -0.5695000    
 C    2.478100     -0.4211000      -1.163600    
 C   -1.699500      -2.274600     -0.7854000    
 C    3.683200      -1.039200      0.8369000    
 C   -3.193800     -0.9498000      0.5741000    
 C    3.652600     -0.5373000      -1.907200    
 C   -1.732900      -3.291600      0.1688000    
 C    4.857800      -1.155200      9.3400002E-02
 C   -3.227100      -1.966500       1.528400    
 C    4.842400     -0.9043000      -1.278600    
 C   -2.496600      -3.137500       1.325700    
 H    1.887900       1.970700      8.8999998E-03
 H   -1.612400       1.075900      0.8493000    
 H   0.9023000       4.090700      0.3421000    
 H    1.409600       3.500600       1.914400    
 H   -2.755900       3.209700       1.009600    
 H   -1.737400       3.908000     -0.2408000    
 H  -0.8857000       2.927200       2.522300    
 H  -0.8617000       4.579700       1.923800    
 H   0.1042000      0.8257000       2.212400    
 H    1.819000       1.099600       2.266000    
 H   -2.581700       2.107500      -1.855900    
 H   -3.581200       1.510800     -0.5942000    
 H    1.172800       2.122100      -2.103100    
 H  -5.1300000E-02   3.333100      -1.727900    
 H  -0.4706000       1.852400      -2.601100    
 H   0.3942000     -0.8677000      0.3880000    
 H   -1.456200     -7.7200003E-02  -2.163300    
 H   0.4538000      -1.448400       2.552700    
 H   -3.409100      -1.197200      -2.805000    
 H    1.555000     -0.1863000      -1.679800    
 H   -1.101700      -2.404100      -1.682900    
 H    3.726800      -1.224900       1.905900    
 H   -3.800600     -7.1599998E-02  0.7616000    
 H    3.638100     -0.3535000      -2.977500    
 H   -1.163400      -4.202900      1.1300000E-02
 H    5.785100      -1.437900      0.5831000    
 H   -3.826500      -1.849800       2.426700    
 H    5.756500     -0.9965000      -1.857800    
 H   -2.523100      -3.929600       2.068300    


%chk=000096946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096946

0 1
O 1.305923 -1.812103 1.310820
O -3.969516 -0.057944 -2.292775
N -0.255103 1.607454 -0.694736
C 0.928283 1.859292 0.201086
C -1.558567 1.757552 0.037185
C 0.831399 3.230925 0.934788
C -1.704803 3.152507 0.711500
C -0.518286 3.409500 1.671247
C 1.150730 0.670629 1.170671
C -2.777478 1.417594 -0.842820
C -0.167173 2.351234 -1.972726
C 1.503914 -0.645502 0.421731
C -2.780903 -0.018272 -1.402290
C 2.948818 -0.681835 -0.051036
C -2.868688 -1.101850 -0.330565
C 3.281362 -0.298762 -1.373830
C -1.837284 -2.062788 -0.185248
C 3.987620 -1.061691 0.836106
C -4.001481 -1.179779 0.522120
C 4.629210 -0.276666 -1.801609
C -1.921719 -3.073258 0.802818
C 5.333239 -1.047498 0.408829
C -4.089842 -2.185529 1.508643
C 5.660481 -0.648626 -0.909403
C -3.048766 -3.134455 1.654670
H 1.814708 1.896983 -0.462861
H -1.537588 1.008959 0.855718
H 0.940046 4.041962 0.186278
H 1.677361 3.335127 1.641783
H -2.663392 3.195056 1.265170
H -1.746748 3.945452 -0.063150
H -0.580629 2.703528 2.524814
H -0.581446 4.427546 2.101050
H 0.241900 0.494141 1.778676
H 1.964983 0.921485 1.876588
H -2.865533 2.115270 -1.696405
H -3.691367 1.555229 -0.234213
H 0.829806 2.174923 -2.415691
H -0.306508 3.455053 -1.887275
H -0.918107 1.975669 -2.689802
H 0.823593 -0.710267 -0.451867
H -1.858303 -0.181267 -1.997083
H 0.356829 -1.817515 1.600939
H -4.085792 -0.986868 -2.618958
H 2.481081 -0.032984 -2.076518
H -0.970927 -2.030535 -0.857004
H 3.723828 -1.392392 1.845833
H -4.816000 -0.457293 0.396819
H 4.871906 0.019654 -2.828624
H -1.122258 -3.817946 0.889218
H 6.128081 -1.351063 1.100067
H -4.969921 -2.236605 2.159892
H 6.705607 -0.637871 -1.239344
H -3.119876 -3.917561 2.417877


