%chk=000042406.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042406

0 1
 N   -1.081600      0.1276000      6.6399999E-02
 N    1.768400      -3.664900     -0.1971000    
 C   -1.167300       1.514600     -0.1184000    
 C   0.2609000     -0.1981000      0.1776000    
 C   0.1441000       2.016600     -0.1571000    
 C    1.024400      0.9315000      4.3400001E-02
 C   -2.274100       2.374800     -0.2960000    
 C   -2.147300     -0.8323000      0.1107000    
 C   -3.702800       1.913700     -0.2736000    
 C   -3.929900      0.8908000      0.8272000    
 C   0.8064000      -1.520900      0.5901000    
 C   -3.476200     -0.4894000      0.4259000    
 C   0.3680000       3.391600     -0.3702000    
 C   -2.008800       3.739800     -0.5316000    
 C    1.260800      -2.361600     -0.6126000    
 C    2.459300      0.9326000      0.1342000    
 C   -1.844000      -2.179700     -0.1775000    
 C  -0.7154000       4.242500     -0.5621000    
 C   -4.456000      -1.506200      0.4383000    
 C   -2.831100      -3.166500     -0.1615000    
 C   -4.139400      -2.830100      0.1458000    
 C    3.078100       1.092500       1.373300    
 C    3.229700      0.7735000      -1.016700    
 C    2.096600      -4.485100      -1.364000    
 C    2.943300      -3.509500      0.6617000    
 C    4.470200       1.093400       1.461500    
 C    4.621800      0.7743000     -0.9285000    
 C    5.242000      0.9342000      0.3107000    
 H   -3.977500       1.523100      -1.260800    
 H   -4.354700       2.773300     -7.1999997E-02
 H   -3.438600       1.176400       1.766600    
 H   -5.005300      0.8741000       1.047500    
 H    1.662000      -1.330100       1.248200    
 H   0.1288000      -2.067000       1.256000    
 H    1.377700       3.792600     -0.3985000    
 H   -2.835600       4.430600     -0.6882000    
 H   0.5587000      -2.438400      -1.447700    
 H    2.089400      -1.819100      -1.091800    
 H  -0.9287000      -2.572800     -0.5203000    
 H  -0.5479000       5.301200     -0.7376000    
 H   -5.488800      -1.269700      0.6872000    
 H   -2.579000      -4.193800     -0.4094000    
 H   -4.912700      -3.591900      0.1581000    
 H    2.491200       1.218100       2.280100    
 H    2.762000      0.6488000      -1.990500    
 H    2.880100      -4.031200      -1.981700    
 H    2.434500      -5.480100      -1.053400    
 H    1.209300      -4.639600      -1.988200    
 H    3.715600      -2.875300      0.2110000    
 H    2.680200      -3.111200       1.646200    
 H    3.396300      -4.487600      0.8655000    
 H    4.953100       1.217800       2.426300    
 H    5.222800      0.6503000      -1.824500    
 H    6.325900      0.9346000      0.3793000    


%chk=000042406-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042406

0 1
N -1.124188 0.096115 0.100683
N 1.805289 -3.771054 -0.032310
C -1.210184 1.479881 -0.231005
C 0.258186 -0.243947 0.244919
C 0.131719 1.970968 -0.370361
C 1.038799 0.882193 -0.046145
C -2.336399 2.336786 -0.351651
C -2.211700 -0.848464 0.050275
C -3.756549 1.907425 -0.016656
C -3.803976 0.853961 1.131767
C 0.734780 -1.605179 0.697862
C -3.488432 -0.530806 0.601214
C 0.361332 3.328799 -0.706982
C -2.068349 3.682848 -0.694835
C 1.559026 -2.352631 -0.385968
C 2.517322 0.996511 0.007101
C -2.017422 -2.104502 -0.583023
C -0.748453 4.172894 -0.889020
C -4.510767 -1.509032 0.542786
C -3.045964 -3.067244 -0.618457
C -4.301430 -2.776959 -0.041357
C 3.260093 0.614557 1.158926
C 3.233187 1.534138 -1.099930
C 2.328613 -4.534703 -1.185324
C 2.664577 -3.933087 1.159751
C 4.665891 0.741318 1.194823
C 4.638292 1.666194 -1.064191
C 5.363948 1.266284 0.082249
H -4.272716 1.484471 -0.901510
H -4.329226 2.805432 0.281250
H -3.092723 1.158299 1.923545
H -4.813626 0.846644 1.580176
H 1.363686 -1.473189 1.596393
H -0.109407 -2.246860 0.998997
H 1.382545 3.712404 -0.798175
H -2.914475 4.375870 -0.780016
H 1.000964 -2.338304 -1.341845
H 2.511320 -1.794378 -0.567484
H -1.065994 -2.321755 -1.072923
H -0.599294 5.227100 -1.147522
H -5.491334 -1.261332 0.966911
H -2.865599 -4.031022 -1.106210
H -5.108229 -3.517238 -0.060691
H 2.728241 0.241905 2.041706
H 2.680135 1.825049 -2.000317
H 3.332180 -4.181903 -1.535427
H 2.418486 -5.601871 -0.913567
H 1.625628 -4.456695 -2.034143
H 3.675152 -3.465039 1.038542
H 2.183108 -3.486208 2.046061
H 2.805971 -5.009276 1.364593
H 5.215053 0.443269 2.095507
H 5.167182 2.076411 -1.932238
H 6.454635 1.367751 0.110545


