%chk=000116238.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116238

0 1
 O   0.1765000      0.8589000      9.6699998E-02
 N   -3.445100      0.2816000      0.4005000    
 C    1.346100      0.2482000      0.6245000    
 C   -4.605200      0.9238000     -0.2060000    
 C   -2.210900      0.9180000     -3.7599999E-02
 C   -5.892600      0.2535000      0.2708000    
 C   -1.003000      0.2172000      0.5634000    
 C    1.406000      -1.207000      0.2089000    
 C    2.598900       1.019100      0.2558000    
 C   -7.123800      0.9262000     -0.3372000    
 C    2.028600      -2.120700       1.040700    
 C    3.681500      0.9936000       1.115300    
 C   0.8363000      -1.589400     -0.9926000    
 C    2.627500       1.727900     -0.9311000    
 C   -8.407900      0.2423000      0.1047000    
 C    2.083500      -3.461000      0.6581000    
 C    4.833900       1.702500      0.7762000    
 C   0.8914000      -2.929700      -1.374900    
 C    3.780100       2.436700      -1.270200    
 C    1.515000      -3.865500     -0.5495000    
 C    4.883300       2.423900     -0.4165000    
 H    1.247900      0.2994000       1.719200    
 H   -4.630500       1.985400      6.8599999E-02
 H   -4.545900      0.8604000      -1.299500    
 H   -2.194200       1.975100      0.2557000    
 H   -2.127100      0.8941000      -1.131700    
 H   -5.882500     -0.8085000     -5.7999999E-03
 H   -5.954200      0.3010000       1.365500    
 H   -1.065000     -0.8450000      0.3173000    
 H   -1.045400      0.3054000       1.657100    
 H   -3.431900     -0.7073000      0.1524000    
 H   -7.061800      0.8982000      -1.431400    
 H   -7.156600       1.981000     -4.0800001E-02
 H    2.469700      -1.819700       1.986100    
 H    3.654000      0.4401000       2.049000    
 H   0.3725000     -0.8790000      -1.670700    
 H    1.783900       1.743100      -1.614200    
 H   -9.275000      0.7401000     -0.3406000    
 H   -8.421300     -0.8068000     -0.2073000    
 H   -8.517000      0.2789000       1.193300    
 H    2.568100      -4.189900       1.301100    
 H    5.692500       1.693500       1.441300    
 H   0.4552000      -3.243800      -2.318700    
 H    3.819700       2.996600      -2.200000    
 H    1.559000      -4.908800     -0.8480000    
 H    5.780700       2.975600     -0.6807000    


%chk=000116238-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116238

0 1
O 0.169022 0.675117 -0.083133
N -3.522093 0.244889 0.165085
C 1.378400 0.157882 0.588337
C -4.719742 1.007681 -0.253079
C -2.232686 0.844686 -0.239477
C -6.013088 0.312852 0.214192
C -1.077595 0.089772 0.428405
C 1.578729 -1.333777 0.308123
C 2.556340 1.027853 0.138264
C -7.290265 1.078646 -0.199693
C 1.495385 -2.282349 1.354769
C 3.876450 0.659853 0.503349
C 1.819339 -1.785389 -1.014833
C 2.351655 2.217718 -0.600155
C -8.584401 0.382081 0.273192
C 1.659173 -3.662923 1.091707
C 4.973873 1.470333 0.140132
C 1.976448 -3.161402 -1.282288
C 3.452192 3.025163 -0.970384
C 1.899585 -4.105282 -0.228549
C 4.765744 2.657980 -0.600162
H 1.244326 0.283481 1.689277
H -4.658265 2.015025 0.205722
H -4.766975 1.165129 -1.361817
H -2.217834 1.898030 0.097610
H -2.064325 0.854382 -1.343907
H -6.053154 -0.714811 -0.207291
H -5.977261 0.201040 1.315391
H -1.120890 -0.993718 0.183787
H -1.135531 0.199327 1.532159
H -3.589315 -0.738996 -0.134662
H -7.311457 1.190445 -1.303059
H -7.249629 2.105932 0.216622
H 1.301799 -1.941162 2.380088
H 4.046112 -0.268181 1.062694
H 1.881435 -1.050529 -1.825463
H 1.331683 2.493865 -0.879232
H -9.483408 0.950447 -0.028390
H -8.667399 -0.634410 -0.155966
H -8.600369 0.282444 1.374837
H 1.595941 -4.387958 1.910986
H 5.988643 1.174224 0.429609
H 2.162862 -3.501290 -2.307442
H 3.282295 3.942453 -1.546034
H 2.026051 -5.173804 -0.436643
H 5.617102 3.286451 -0.885476


