%chk=000171402.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171402

1 1
 N   -4.261900       1.165500      0.3365000    
 C   -2.868300       1.659200      0.4635000    
 C   -1.920000      0.7701000     -0.3321000    
 C   -4.686300       1.103800      -1.137400    
 C   -4.397400     -0.2431000      0.9311000    
 C   -5.238000       2.091200       1.075500    
 C   0.5561000      0.3735000     -0.3170000    
 C  -0.4946000       1.212900     -0.2319000    
 C    1.936100      0.9159000     -0.2044000    
 C   0.2431000      -1.067800     -0.4142000    
 C    2.770300     -0.9134000       1.465200    
 C    1.361700      -1.387200       1.826000    
 C    2.933000      0.3274000      0.6051000    
 C   0.6280000      -1.929600      0.6263000    
 C    2.275600       2.042200     -0.9866000    
 C  -0.4266000      -1.585100      -1.533400    
 C    4.226000      0.8973000      0.6063000    
 C   0.3298000      -3.296600      0.5338000    
 C    3.556900       2.592200     -0.9589000    
 C  -0.7171000      -2.946900      -1.613500    
 C    4.533700       2.019700     -0.1595000    
 C  -0.3401000      -3.801300     -0.5805000    
 H   -2.604300       1.670300       1.528600    
 H   -2.839400       2.692100      9.4099998E-02
 H   -2.170900      0.8056000      -1.396800    
 H   -2.028200     -0.2520000      2.7600000E-02
 H   -5.765500      0.9231000      -1.171600    
 H   -4.451200       2.063900      -1.605800    
 H   -4.177500      0.2765000      -1.638400    
 H   -3.950400     -0.2426000       1.929300    
 H   -5.463900     -0.4815000      0.9974000    
 H   -3.917300     -0.9754000      0.2779000    
 H   -4.948600       2.116500       2.130200    
 H   -5.163300       3.088200      0.6315000    
 H   -6.252100       1.696400      0.9642000    
 H  -0.3344000       2.283700     -0.1239000    
 H    3.311100      -1.731700      0.9705000    
 H    3.285400     -0.7220000       2.416800    
 H   0.7777000     -0.5831000       2.291400    
 H    1.444300      -2.173600       2.587200    
 H    1.541900       2.503600      -1.645600    
 H  -0.7127000     -0.9412000      -2.361800    
 H    5.013000      0.4555000       1.215100    
 H   0.6206000      -3.979100       1.328500    
 H    3.789400       3.460000      -1.568800    
 H   -1.233200      -3.341400      -2.483900    
 H    5.535800       2.437000     -0.1365000    
 H  -0.5651000      -4.861900     -0.6439000    


%chk=000171402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171402

1 1
N -4.007452 0.700468 0.337400
C -2.533779 1.210544 0.286115
C -1.909315 1.329947 -1.121101
C -4.920128 1.594575 -0.493937
C -4.086421 -0.740033 -0.169906
C -4.462830 0.732733 1.795384
C 0.496361 0.610697 -0.582167
C -0.411141 1.573273 -0.947219
C 1.948713 0.949065 -0.432581
C 0.058117 -0.811037 -0.364128
C 2.321415 -0.420844 1.795979
C 0.797764 -0.570909 2.047387
C 2.775971 0.465880 0.630487
C 0.134280 -1.373726 0.943076
C 2.529396 1.785535 -1.432553
C -0.435626 -1.595270 -1.438406
C 4.144299 0.846530 0.643059
C -0.330858 -2.695697 1.153337
C 3.887789 2.149118 -1.399656
C -0.883206 -2.918344 -1.220182
C 4.705852 1.672324 -0.350012
C -0.845589 -3.465704 0.083821
H -1.956919 0.488927 0.888464
H -2.530432 2.189022 0.798351
H -2.354927 2.169916 -1.681841
H -2.078024 0.404043 -1.696471
H -5.958268 1.242512 -0.390049
H -4.837416 2.630215 -0.129901
H -4.616969 1.544919 -1.548900
H -3.353026 -1.355709 0.373658
H -5.106121 -1.119018 0.000272
H -3.856217 -0.766256 -1.243654
H -3.800705 0.085543 2.390445
H -4.407013 1.766638 2.168201
H -5.499327 0.367620 1.861836
H -0.066506 2.607492 -1.065761
H 2.749151 -1.434601 1.654866
H 2.784225 -0.023765 2.719909
H 0.350443 0.440829 2.131587
H 0.653050 -1.074471 3.020573
H 1.904087 2.117564 -2.268711
H -0.426505 -1.180057 -2.453405
H 4.779592 0.486435 1.461768
H -0.264126 -3.133213 2.156732
H 4.307229 2.782014 -2.188409
H -1.233293 -3.524659 -2.062496
H 5.766961 1.939050 -0.307861
H -1.181355 -4.493316 0.259797


