%chk=000047089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047089

0 1
 N  -0.5327000       1.510100      2.3399999E-02
 N    4.095000      -1.529400     -3.4100000E-02
 C  -0.8648000     -0.6928000     -7.6000001E-03
 C   -1.489600      0.5368000      6.0999999E-03
 C   -1.627400      -1.973300     -4.3699998E-02
 C   -2.955700      0.7808000      3.1700000E-02
 C   -3.104000      -1.752900      0.3392000    
 C   -3.703600     -0.5110000     -0.3474000    
 C   0.5387000     -0.4563000     -6.6999998E-03
 C   0.7186000      0.9313000      1.4000000E-02
 C    1.678200      -1.285900     -2.3700001E-02
 C  -0.7867000       2.935500      3.9200000E-02
 C    1.985100       1.526900      2.1400001E-02
 C    2.950000     -0.7023000     -1.7300000E-02
 C    3.098900      0.6825000      5.2000000E-03
 H   -1.574200      -2.385500      -1.058700    
 H   -1.179200      -2.708200      0.6341000    
 H   -3.252200       1.089000       1.041400    
 H   -3.242200       1.578200     -0.6624000    
 H   -3.685400      -2.643300      7.4699998E-02
 H   -3.184000      -1.629700       1.427100    
 H   -4.762100     -0.4109000     -8.1699997E-02
 H   -3.659200     -0.6526000      -1.435100    
 H    1.564500      -2.366700     -4.1400000E-02
 H  -0.7349000       3.299600     -0.9898000    
 H   -1.772500       3.134500      0.4649000    
 H  -3.5999998E-02   3.429500      0.6608000    
 H    2.112900       2.604000      3.4299999E-02
 H    4.091600       1.127800      9.2000002E-03
 H    5.017900      -1.115800     -2.8899999E-02
 H    3.992200      -2.535300     -4.9699999E-02


%chk=000047089-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047089

0 1
N -0.541932 1.567145 0.022086
N 4.127589 -1.552337 -0.061541
C -0.880200 -0.703708 -0.022392
C -1.511790 0.544150 0.002433
C -1.643794 -2.007753 -0.032472
C -3.000751 0.769784 0.019150
C -3.119516 -1.771904 0.386615
C -3.728750 -0.553053 -0.350133
C 0.547896 -0.463716 -0.027435
C 0.730791 0.964721 0.002538
C 1.683889 -1.312507 -0.048753
C -0.774383 3.007673 0.063878
C 2.015107 1.544516 0.009535
C 2.981181 -0.738929 -0.040733
C 3.133188 0.687682 -0.011805
H -1.617094 -2.468553 -1.043292
H -1.172222 -2.741725 0.651644
H -3.333709 1.109236 1.023740
H -3.299945 1.565168 -0.693864
H -3.720994 -2.677469 0.177622
H -3.166347 -1.593418 1.479884
H -4.805322 -0.458427 -0.111507
H -3.649037 -0.717862 -1.443097
H 1.565218 -2.403030 -0.073422
H -0.371625 3.507235 -0.838773
H -1.855791 3.209082 0.116145
H -0.297154 3.462020 0.953528
H 2.157267 2.630940 0.030606
H 4.143812 1.114948 -0.006329
H 5.055371 -1.141715 -0.055346
H 4.046248 -2.563593 -0.080009


