%chk=000167838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167838

0 1
 O    4.525600      -2.287700       1.870100    
 N  -0.4847000       1.732700     -2.5599999E-02
 C    1.901100       1.167400     -0.4214000    
 C   0.5111000      0.6495000      6.0000003E-04
 C    2.336300       2.342400      0.4679000    
 C    1.251600       3.415000      0.4969000    
 C  -0.1054000       2.824600      0.8812000    
 C   -1.809900       1.218200      0.3194000    
 C    2.939400      6.0100000E-02 -0.4399000    
 C   -2.239800      0.1112000     -0.6465000    
 C    3.258300     -0.6113000      0.7382000    
 C    3.568700     -0.2807000      -1.635000    
 C   -3.607200     -0.4178000     -0.3282000    
 C    4.212000      -1.629200      0.7211000    
 C    4.522300      -1.298300      -1.652100    
 C    4.843800      -1.972700     -0.4742000    
 C   -3.744400      -1.488100      0.5488000    
 C   -4.725100      0.1672000     -0.9126000    
 C   -5.015700      -1.979800      0.8450000    
 C   -5.996400     -0.3246000     -0.6163000    
 C   -6.141600      -1.398100      0.2625000    
 H    1.804400       1.557900      -1.445700    
 H   0.2727000     -0.1363000     -0.7216000    
 H   0.5451000      0.1842000      0.9945000    
 H    3.274200       2.774500      9.8300003E-02
 H    2.527700       2.008200       1.495100    
 H    1.528500       4.200100       1.209700    
 H    1.180500       3.890400     -0.4896000    
 H  -7.3299997E-02   2.475900       1.921900    
 H  -0.8517000       3.626700      0.8296000    
 H   -1.828800      0.8428000       1.351700    
 H   -2.541500       2.035200      0.2668000    
 H   -1.570800     -0.7548000     -0.6212000    
 H   -2.218400      0.4790000      -1.681100    
 H    2.774400     -0.3562000       1.677200    
 H    3.329000      0.2350000      -2.560800    
 H    5.014400      -1.565900      -2.582600    
 H    5.588400      -2.763900     -0.5011000    
 H   -2.875200      -1.947700       1.011100    
 H   -4.623700       1.005000      -1.596900    
 H   -5.129000      -2.815000       1.529900    
 H   -6.873400      0.1287000      -1.069300    
 H    5.202000      -2.958600       1.674200    
 H   -7.131500      -1.780700      0.4934000    


%chk=000167838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167838

0 1
O 5.006395 -1.965821 1.991300
N -0.460319 1.529715 0.064442
C 1.968554 1.126743 -0.412060
C 0.630978 0.528213 0.107439
C 2.335689 2.380035 0.426675
C 1.162993 3.385560 0.433675
C -0.138550 2.708526 0.908247
C -1.788579 0.955677 0.388671
C 3.070763 0.071885 -0.430630
C -2.351051 0.042473 -0.735196
C 3.564971 -0.482910 0.775346
C 3.607627 -0.386389 -1.663356
C -3.769326 -0.409413 -0.421644
C 4.573185 -1.470134 0.745528
C 4.616735 -1.373832 -1.685512
C 5.109620 -1.925877 -0.482696
C -4.007753 -1.564117 0.368457
C -4.886673 0.342029 -0.870122
C -5.323427 -1.957784 0.702308
C -6.204626 -0.047194 -0.540086
C -6.427922 -1.199174 0.249541
H 1.782479 1.460320 -1.452322
H 0.357138 -0.336204 -0.522682
H 0.786057 0.141688 1.150332
H 3.252659 2.848182 0.022057
H 2.564821 2.073298 1.467500
H 1.394135 4.243883 1.093461
H 1.004718 3.780216 -0.588706
H -0.027225 2.418204 1.987681
H -0.981886 3.421318 0.844839
H -1.774743 0.382559 1.351746
H -2.493082 1.797208 0.531248
H -1.696552 -0.840284 -0.860756
H -2.317397 0.614823 -1.680346
H 3.186083 -0.161435 1.750944
H 3.232796 0.034820 -2.603309
H 5.025180 -1.717978 -2.642268
H 5.895137 -2.692776 -0.501254
H -3.155632 -2.161296 0.717508
H -4.720422 1.234159 -1.487319
H -5.487712 -2.854864 1.310461
H -7.055060 0.542920 -0.900827
H 5.712308 -2.648242 1.870316
H -7.449086 -1.504230 0.504769


