%chk=000202266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202266

2 1
N -2.413856 0.275466 0.531458
N -5.281480 -0.219616 -0.370212
C 0.092006 -0.375458 0.344209
C -0.997288 0.687054 0.075735
C 1.142442 -0.304954 -0.830032
C -3.383557 1.405028 0.174413
C -2.847315 -0.974944 -0.232417
C 0.813958 -0.144977 1.699738
C 2.340309 0.090338 1.466257
C -4.853129 1.041314 0.382811
C -4.311423 -1.349472 -0.018282
C 2.196011 -1.351563 -0.512173
C 1.819851 1.049652 -0.732648
C -2.427252 0.029227 2.021219
C 2.852708 -1.132219 0.725698
C 2.465047 1.264836 0.512557
C -5.304275 0.025690 -1.861064
C -6.675803 -0.610086 0.077073
C 2.550266 -2.422294 -1.321478
C 1.865547 2.014353 -1.730029
C 3.858601 -1.988417 1.150977
C 3.144135 2.450912 0.756170
C 3.569741 -3.287602 -0.887538
C 2.555457 3.213033 -1.479491
C 4.214467 -3.073747 0.331041
C 3.184311 3.428816 -0.252777
H -0.341766 -1.401332 0.334290
H -1.028488 0.934723 -1.012082
H -0.708858 1.641125 0.586535
H 0.668210 -0.479612 -1.813995
H -3.195935 1.734643 -0.880099
H -3.145601 2.314840 0.794716
H -2.192215 -1.842492 0.075866
H -2.616095 -0.839737 -1.320611
H 0.697653 -1.029471 2.353476
H 0.409262 0.718955 2.250691
H 2.866829 0.260069 2.428319
H -5.085922 0.918447 1.472691
H -5.491768 1.910642 0.059297
H -4.549147 -2.259107 -0.638037
H -4.493679 -1.679582 1.037355
H -3.425913 -0.214222 2.416128
H -1.747928 -0.805404 2.305499
H -2.054587 0.912990 2.583561
H -5.635649 -0.874320 -2.424511
H -6.021228 0.829557 -2.138540
H -4.320864 0.316264 -2.267965
H -7.038004 -1.526379 -0.438225
H -6.741652 -0.808387 1.164864
H -7.424175 0.179961 -0.150937
H 2.073492 -2.589384 -2.284416
H 1.415142 1.844504 -2.704745
H 4.380278 -1.824674 2.093760
H 3.660635 2.622193 1.700980
H 3.866387 -4.127792 -1.518775
H 2.616574 3.972494 -2.261438
H 5.012283 -3.748560 0.650895
H 3.730547 4.358877 -0.076862


%chk=000202266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202266

2 1
N -2.425951 0.209873 0.492769
N -5.356509 -0.160333 -0.346788
C 0.136849 -0.475295 0.266743
C -0.978190 0.535204 -0.068365
C 1.253037 -0.338321 -0.872491
C -3.341348 1.377011 0.080760
C -2.952356 -1.064853 -0.185273
C 0.824253 -0.243339 1.664884
C 2.361597 0.048498 1.466440
C -4.832164 1.118681 0.338288
C -4.441730 -1.330147 0.072075
C 2.324005 -1.372120 -0.538691
C 1.850050 1.060270 -0.720287
C -2.380837 0.056123 2.012288
C 2.935300 -1.156037 0.724112
C 2.452466 1.268402 0.551513
C -5.406070 -0.001509 -1.871814
C -6.784853 -0.442059 0.150109
C 2.726400 -2.443722 -1.358447
C 1.859028 2.078375 -1.694040
C 3.954953 -2.014168 1.175669
C 3.059852 2.502229 0.852873
C 3.756701 -3.305347 -0.906899
C 2.477236 3.318328 -1.392126
C 4.365876 -3.091680 0.351816
C 3.071137 3.528477 -0.125557
H -0.239428 -1.515619 0.193320
H -1.127039 0.608303 -1.163007
H -0.730606 1.539749 0.319018
H 0.811511 -0.508153 -1.872036
H -3.134921 1.587911 -0.981934
H -3.035431 2.266577 0.656935
H -2.376563 -1.921538 0.199994
H -2.725993 -0.973882 -1.260849
H 0.709751 -1.134015 2.309387
H 0.378028 0.620688 2.193765
H 2.842695 0.214921 2.444144
H -5.056638 1.019261 1.413412
H -5.413907 1.973187 -0.047241
H -4.748691 -2.221721 -0.500541
H -4.648537 -1.529777 1.136788
H -3.384101 -0.149425 2.413094
H -1.702575 -0.770037 2.264513
H -1.992695 0.987642 2.450005
H -5.792532 -0.933350 -2.311960
H -6.084518 0.829387 -2.118410
H -4.406566 0.208771 -2.276149
H -7.155377 -1.361390 -0.328788
H -6.775525 -0.566685 1.243938
H -7.431831 0.405039 -0.124813
H 2.270772 -2.601117 -2.343242
H 1.433905 1.905238 -2.690488
H 4.437595 -1.847589 2.145049
H 3.540704 2.663707 1.824113
H 4.092862 -4.133138 -1.539474
H 2.515603 4.109071 -2.148436
H 5.167922 -3.757408 0.686379
H 3.560690 4.483052 0.092851


