%chk=000168897.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168897

0 1
 N   -3.961100     -0.6771000      0.2285000    
 C   -1.223500     -0.2672000     -0.5905000    
 C   -2.244100      0.8264000     -0.7509000    
 C   -1.810200      -1.651500     -0.5404000    
 C   8.9400001E-02 -2.7300000E-02 -0.4703000    
 C   -3.365100      0.6686000      0.2826000    
 C   -2.947600      -1.714300      0.4854000    
 C    1.030000      -1.168500     -0.3154000    
 C   0.4971000       1.391600     -0.3961000    
 C    2.060700      -1.193500      0.6503000    
 C    1.087700       1.879500      0.7813000    
 C    2.372100     -9.8800004E-02   1.655500    
 C    1.309300      0.9595000       1.954400    
 C   -5.060200     -0.7880000       1.187200    
 C   0.9162000      -2.252800      -1.213600    
 C   0.3080000       2.252900      -1.487600    
 C    2.927800      -2.308600      0.6843000    
 C    1.473700       3.225700      0.8511000    
 C    1.779400      -3.346400      -1.152600    
 C   0.6966000       3.589700      -1.405600    
 C    2.786100      -3.375500     -0.2004000    
 C    1.277600       4.075700     -0.2373000    
 H   -1.894300       1.850000     -0.6278000    
 H   -2.667700      0.7608000      -1.761900    
 H   -2.194200      -1.916800      -1.533600    
 H   -1.146500      -2.450800     -0.2156000    
 H   -2.976100      0.8817000       1.287800    
 H   -4.136000       1.418900      6.6500001E-02
 H   -3.413100      -2.705700      0.4190000    
 H   -2.539100      -1.614000       1.500600    
 H    2.598800     -0.5882000       2.612800    
 H    3.294700      0.3988000       1.326900    
 H    1.639100       1.547900       2.820200    
 H   0.3599000      0.4971000       2.253200    
 H   -5.837900     -4.7899999E-02  0.9681000    
 H   -4.725400     -0.6412000       2.220400    
 H   -5.535600      -1.772500       1.115100    
 H   0.1992000      -2.238700      -2.032800    
 H  -0.1248000       1.890700      -2.417700    
 H    3.735500      -2.345700       1.413400    
 H    1.933300       3.621300       1.753400    
 H    1.676300      -4.161000      -1.863300    
 H   0.5501000       4.250400      -2.255000    
 H    3.468700      -4.218300     -0.1514000    
 H    1.581600       5.116500     -0.1743000    


%chk=000168897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168897

0 1
N -4.101828 -0.706022 0.369637
C -1.349631 -0.312673 -0.558079
C -2.408315 0.770001 -0.717383
C -1.961109 -1.703885 -0.454053
C -0.006775 -0.043072 -0.436059
C -3.505869 0.648761 0.368343
C -3.072402 -1.737044 0.626654
C 1.045177 -1.116593 -0.333751
C 0.529358 1.362799 -0.434672
C 2.058467 -1.149034 0.674687
C 1.102206 1.869717 0.767763
C 2.199853 -0.161225 1.840253
C 1.144002 0.965013 1.985198
C -5.248573 -0.814657 1.291227
C 1.073309 -2.110761 -1.356606
C 0.511667 2.176793 -1.593794
C 3.034421 -2.181796 0.623615
C 1.633964 3.180671 0.785989
C 2.048352 -3.125231 -1.391282
C 1.047952 3.484366 -1.567961
C 3.041484 -3.163983 -0.385679
C 1.610333 3.989706 -0.373700
H -1.967163 1.779485 -0.677886
H -2.901039 0.651535 -1.703995
H -2.426880 -1.980040 -1.421803
H -1.202668 -2.466284 -0.212231
H -3.058649 0.899937 1.367367
H -4.307218 1.385220 0.169747
H -3.560693 -2.729743 0.622088
H -2.599546 -1.599794 1.635939
H 2.215173 -0.745942 2.782772
H 3.199697 0.313065 1.761857
H 1.389028 1.552062 2.890059
H 0.147727 0.510134 2.148993
H -6.017736 -0.069763 1.018485
H -4.973415 -0.648760 2.364396
H -5.700716 -1.819397 1.207383
H 0.319612 -2.056346 -2.150072
H 0.082588 1.776178 -2.519506
H 3.807599 -2.206872 1.402880
H 2.065281 3.571651 1.716004
H 2.041267 -3.867836 -2.196780
H 1.029166 4.101825 -2.473064
H 3.812887 -3.942079 -0.393222
H 2.026053 5.003315 -0.345857


