%chk=000227820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227820

0 1
N 0.068120 -2.096505 -0.382646
N 3.255123 1.578431 -0.329016
N -1.440893 2.595021 -0.306291
C 0.297427 -0.705215 -0.330316
C 1.931660 1.084936 -0.305154
C -0.441077 1.598461 -0.292396
C 1.647239 -0.288936 -0.334789
C -0.752641 0.227910 -0.324413
C 0.896904 2.043994 -0.289257
C -1.168846 -2.763664 -0.142434
C 4.440540 0.842682 -0.038836
C -2.827896 2.409612 -0.033139
C -1.427134 -3.952691 -0.858140
C 5.629742 1.223943 -0.697456
C -3.749509 3.240885 -0.705564
C -2.083390 -2.306611 0.824783
C 4.461095 -0.190348 0.917179
C -3.278761 1.481094 0.923723
C -2.603605 -4.659069 -0.609787
C 6.818678 0.556817 -0.404058
C -5.110373 3.120562 -0.425359
C -3.257368 -3.026209 1.050820
C 5.661428 -0.847361 1.189553
C -4.645742 1.373665 1.182067
C -3.524026 -4.199731 0.338528
C 6.840969 -0.481554 0.533270
C -5.565201 2.187273 0.512394
H 2.448380 -1.017047 -0.385980
H -1.783721 -0.100558 -0.418393
H 1.126004 3.100214 -0.246647
H 0.847447 -2.684667 -0.678616
H 3.383239 2.553774 -0.596395
H -1.156552 3.535902 -0.576738
H -0.724871 -4.312363 -1.605463
H 5.622224 2.021793 -1.435104
H -3.408537 3.960820 -1.444617
H -1.870853 -1.407990 1.402179
H 3.552657 -0.463210 1.453609
H -2.566894 0.862511 1.468493
H -2.807589 -5.575178 -1.163894
H 7.737433 0.846867 -0.913671
H -5.824695 3.758046 -0.946168
H -3.968976 -2.670646 1.795788
H 5.677956 -1.648876 1.928222
H -4.996896 0.651661 1.919100
H -4.441028 -4.753554 0.521678
H 7.771232 -0.998763 0.752801
H -6.628022 2.096469 0.720548


%chk=000227820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227820

0 1
N -0.029993 -2.167744 -0.561422
N 3.243068 1.477051 -0.451685
N -1.478775 2.569917 -0.437686
C 0.226465 -0.781258 -0.446356
C 1.909105 1.006154 -0.410682
C -0.489564 1.559058 -0.392913
C 1.587591 -0.372875 -0.439647
C -0.817233 0.179412 -0.434195
C 0.868330 1.970247 -0.368741
C -1.189669 -2.902945 -0.225715
C 4.439449 0.824421 -0.074404
C -2.843078 2.515557 -0.070951
C -1.370798 -4.183213 -0.825012
C 5.667053 1.303623 -0.616630
C -3.721370 3.502868 -0.604519
C -2.147276 -2.453648 0.726597
C 4.478682 -0.243292 0.866979
C -3.365702 1.563900 0.849430
C -2.478610 -4.985161 -0.485845
C 6.895289 0.729425 -0.232350
C -5.080384 3.532465 -0.233594
C -3.258769 -3.260668 1.048014
C 5.714210 -0.817715 1.233204
C -4.731159 1.596049 1.202321
C -3.439079 -4.528243 0.447584
C 6.930858 -0.343337 0.689702
C -5.601736 2.573296 0.666715
H 2.379630 -1.124801 -0.496502
H -1.853966 -0.134841 -0.559873
H 1.115099 3.035497 -0.279514
H 0.739686 -2.719582 -0.943723
H 3.357372 2.428023 -0.805156
H -1.160762 3.472214 -0.794477
H -0.642286 -4.540010 -1.564409
H 5.650547 2.123139 -1.346607
H -3.333212 4.240648 -1.318658
H -2.003347 -1.497947 1.237511
H 3.555138 -0.593649 1.335875
H -2.701727 0.828568 1.311631
H -2.596861 -5.966317 -0.959748
H 7.826810 1.115390 -0.661976
H -5.736358 4.301452 -0.657381
H -3.983269 -2.898522 1.786732
H 5.724384 -1.634254 1.964540
H -5.113577 0.855998 1.914966
H -4.304653 -5.147866 0.703617
H 7.884755 -0.794386 0.981832
H -6.659906 2.590499 0.947117


