%chk=000167715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167715

0 1
 O    3.688200       1.226600     -0.3942000    
 O    5.233100     -0.9728000     -0.2907000    
 N   -2.616200     -0.6169000     -0.1362000    
 C   -1.154100     -0.4878000     -0.3691000    
 C  -0.6227000      0.9172000     -6.5899998E-02
 C  -0.3549000      -1.513000      0.4672000    
 C   -3.330600      0.4677000     -0.8284000    
 C   -1.505200       2.014800     -3.6800001E-02
 C   -2.986500       1.812000     -0.1939000    
 C   0.7700000       1.109900      0.1208000    
 C    1.134900      -1.351800      0.2620000    
 C   -3.140900      -1.906100     -0.5989000    
 C    1.677900     -5.9799999E-02  9.2600003E-02
 C   -1.011600       3.299800      0.2076000    
 C    1.229300       2.417500      0.3615000    
 C   -4.635100      -2.052500     -0.3367000    
 C    1.966700      -2.481800      0.2836000    
 C    3.067200      4.5600001E-02 -9.8200001E-02
 C   0.3494000       3.499600      0.4025000    
 C    3.888700      -1.085600     -9.2399999E-02
 C    3.339900      -2.347500      0.1042000    
 C   -4.987500      -1.935200       1.139400    
 H  -0.9475000     -0.6641000      -1.436200    
 H  -0.6246000      -2.534700      0.1813000    
 H  -0.5703000      -1.398200       1.537900    
 H   -4.417400      0.3954000     -0.7490000    
 H   -3.084500      0.4756000      -1.899200    
 H   -3.448700       1.880500      0.7994000    
 H   -3.407500       2.612900     -0.8138000    
 H   -2.651500      -2.732900     -7.5099997E-02
 H   -2.948000      -2.047100      -1.670300    
 H   -1.687600       4.149500      0.2557000    
 H    2.260600       2.645000      0.6062000    
 H   -5.254500      -1.383500     -0.9405000    
 H   -4.924500      -3.060900     -0.6625000    
 H    1.546100      -3.472600      0.4350000    
 H   0.7265000       4.497100      0.6099000    
 H    3.973500      -3.229900      0.1131000    
 H   -4.809200     -0.9246000       1.519000    
 H   -6.047700      -2.163300       1.290100    
 H   -4.404200      -2.639100       1.741800    
 H    3.153300       1.680900      -1.068000    
 H    5.445600     -3.1199999E-02 -0.4131000    


%chk=000167715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167715

0 1
O 3.692692 1.065853 -0.671986
O 5.113863 -1.187923 -0.433449
N -2.680658 -0.484320 -0.342441
C -1.194285 -0.404707 -0.377718
C -0.667376 1.013156 -0.124747
C -0.524994 -1.326222 0.679324
C -3.309311 0.664364 -1.043779
C -1.516901 2.143914 -0.078631
C -3.009101 1.973694 -0.302250
C 0.735981 1.157685 0.118607
C 0.979497 -1.312449 0.463930
C -3.200596 -1.778185 -0.870083
C 1.585853 -0.062161 0.121925
C -0.968684 3.424050 0.189900
C 1.255179 2.445418 0.429553
C -4.579134 -2.161241 -0.283256
C 1.769536 -2.476701 0.554539
C 2.964936 -0.055776 -0.201369
C 0.406577 3.574023 0.453477
C 3.753284 -1.232453 -0.107590
C 3.159156 -2.442942 0.290490
C -4.528045 -2.424269 1.236048
H -0.812077 -0.728621 -1.385433
H -0.901724 -2.360338 0.602931
H -0.803297 -0.949765 1.684346
H -4.399793 0.496860 -1.080320
H -2.950382 0.738197 -2.103285
H -3.529695 1.955436 0.675298
H -3.411680 2.834606 -0.870030
H -2.484314 -2.579749 -0.615560
H -3.261556 -1.751114 -1.987478
H -1.632437 4.296847 0.212858
H 2.296228 2.556843 0.755008
H -5.315330 -1.361242 -0.496986
H -4.940862 -3.064342 -0.815151
H 1.297416 -3.427328 0.826040
H 0.817305 4.559549 0.698826
H 3.781292 -3.339895 0.356673
H -4.113404 -1.543711 1.757216
H -5.533538 -2.635946 1.643510
H -3.879922 -3.291488 1.466926
H 3.083800 1.799556 -0.941576
H 5.334401 -0.262461 -0.722607


