%chk=000042902.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042902

0 1
 N  -0.7787000      0.9710000     -8.5199997E-02
 N    4.518300      0.4672000       1.480600    
 C    1.427800     -0.1803000     -0.6698000    
 C  -4.1600000E-02 -0.1554000     -0.3340000    
 C    1.790400      -1.615500      -1.169500    
 C  -0.8694000      -1.251000     -0.1788000    
 C    1.135400      -2.735700     -0.3387000    
 C    2.248500      0.1644000      0.5865000    
 C  -0.3996000      -2.651400     -0.3745000    
 C    1.763000      0.8269000      -1.782400    
 C   -2.165000     -0.7667000      0.1604000    
 C   -2.078800      0.6274000      0.2129000    
 C    3.739900      0.1731000      0.3093000    
 C  -0.2991000       2.337700     -6.8599999E-02
 C   -3.406500      -1.378100      0.4292000    
 C   -3.175200       1.439900      0.5239000    
 C  -0.4561000       3.018500      -1.417400    
 C   -4.511100     -0.5772000      0.7406000    
 C   -4.394800      0.8103000      0.7869000    
 C    5.952700      0.4751000       1.188500    
 H    2.864400      -1.793900      -1.246900    
 H    1.418500      -1.727600      -2.199500    
 H    1.487000      -2.681800      0.6983000    
 H    1.448800      -3.712400     -0.7253000    
 H    2.035100     -0.5668000       1.378600    
 H    1.977100       1.126200       1.025900    
 H  -0.8194000      -3.309900      0.3941000    
 H  -0.7606000      -3.010100      -1.346200    
 H    1.881800       1.856100      -1.441800    
 H    2.719800      0.5686000      -2.255500    
 H    1.029100      0.7792000      -2.593600    
 H    4.075600     -0.7934000     -7.2099999E-02
 H    3.972500      0.9271000     -0.4498000    
 H  -0.8489000       2.892000      0.7003000    
 H   0.7349000       2.376900      0.2560000    
 H   -3.512700      -2.458800      0.3973000    
 H   -3.102500       2.521500      0.5581000    
 H    4.328400     -0.2202000       2.209100    
 H  -0.2489000       2.384300      -2.278200    
 H   0.1782000       3.909000      -1.470400    
 H   -1.492300       3.356100      -1.538900    
 H   -5.470000      -1.044500      0.9484000    
 H   -5.265800       1.413600       1.029800    
 H    6.295000     -0.5032000      0.8361000    
 H    6.505900      0.7182000       2.100900    
 H    6.199700       1.235100      0.4402000    


%chk=000042902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042902

0 1
N -0.720289 1.017416 -0.092708
N 4.536104 0.470358 1.552178
C 1.469485 -0.278854 -0.770797
C -0.009985 -0.180114 -0.396260
C 1.719647 -1.751235 -1.259226
C -0.880276 -1.268664 -0.247506
C 1.060177 -2.841006 -0.386738
C 2.341155 0.043867 0.496276
C -0.480136 -2.711118 -0.440050
C 1.847318 0.651243 -1.964420
C -2.172097 -0.752192 0.144632
C -2.043814 0.678009 0.232614
C 3.864270 0.153298 0.273291
C -0.255749 2.415603 -0.117967
C -3.421400 -1.356014 0.442961
C -3.127794 1.504430 0.607262
C -0.682922 3.183024 -1.390116
C -4.505015 -0.536796 0.817944
C -4.358297 0.879356 0.900324
C 5.999173 0.624311 1.454680
H 2.811655 -1.918681 -1.323538
H 1.323786 -1.844901 -2.291522
H 1.402692 -2.748699 0.662710
H 1.372628 -3.842299 -0.740534
H 2.142157 -0.738077 1.257821
H 2.008891 0.995423 0.951612
H -0.948020 -3.348424 0.336268
H -0.849121 -3.091745 -1.416318
H 1.921790 1.715020 -1.680145
H 2.827356 0.352968 -2.380615
H 1.098381 0.559912 -2.771616
H 4.259224 -0.784423 -0.194235
H 4.089180 0.977126 -0.431754
H -0.663705 2.923233 0.777361
H 0.839638 2.432092 -0.012577
H -3.543265 -2.443782 0.382278
H -3.030966 2.593749 0.673686
H 4.265386 -0.192538 2.291432
H -0.246981 2.724170 -2.293782
H -0.343026 4.233796 -1.334509
H -1.780870 3.180456 -1.502626
H -5.476039 -0.988804 1.050170
H -5.217196 1.493112 1.195270
H 6.530988 -0.262672 1.028243
H 6.420398 0.828882 2.455035
H 6.236286 1.491682 0.810307


