%chk=000239117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239117

0 1
N -4.523272 -3.366497 -0.219097
N -0.641043 5.465001 -0.480231
C -0.028173 -0.027977 1.192654
C 1.297717 -0.635758 0.769120
C -1.202440 -0.892130 0.774829
C -0.177377 1.401704 0.709274
C 3.755019 -1.814680 0.045097
C 5.076994 -2.457700 -0.328662
C 1.840196 -1.680065 1.535149
C 1.992116 -0.191807 -0.364590
C 3.056659 -2.262876 1.176679
C 3.209913 -0.774799 -0.721385
C -2.402089 -0.809312 1.500002
C 0.450683 2.434418 1.423445
C -1.137017 -1.767467 -0.316895
C -0.918032 1.730057 -0.433811
C -3.440802 -2.469700 0.052402
C -0.408596 4.094264 -0.137942
C 4.980604 -3.125124 -1.706903
C 6.210120 -1.424057 -0.286835
C -3.507132 -1.579468 1.149449
C 0.343836 3.759989 1.011762
C -2.235257 -2.545667 -0.679523
C -1.034447 3.052563 -0.858080
C -5.873847 -2.902318 0.208001
C -4.564687 -3.942780 -1.592803
C 0.399758 6.432593 -0.030390
C -1.039519 5.725742 -1.892467
H -0.028718 0.003800 2.320715
H 5.315875 -3.256481 0.421373
H 1.306094 -2.045932 2.410788
H 1.583770 0.616941 -0.971203
H 3.461270 -3.071637 1.782405
H 3.739003 -0.416607 -1.602476
H -2.476161 -0.126484 2.346779
H 1.038157 2.199206 2.311120
H -0.214640 -1.847757 -0.895328
H -1.415247 0.942242 -1.002912
H 4.155672 -3.846159 -1.738443
H 5.903082 -3.661060 -1.952562
H 4.803644 -2.393616 -2.502740
H 6.073875 -0.638870 -1.038367
H 7.181269 -1.893306 -0.474291
H 6.258649 -0.932211 0.691509
H -4.417627 -1.498130 1.738666
H 0.834838 4.536095 1.594094
H -2.142935 -3.222961 -1.524943
H -1.627525 3.270800 -1.742765
H -5.866043 -2.700659 1.293850
H -6.607624 -3.706727 0.038473
H -6.219582 -1.996311 -0.312890
H -3.624940 -4.488841 -1.788773
H -4.707695 -3.194686 -2.387471
H -5.380512 -4.681010 -1.655105
H 1.388383 6.268505 -0.485804
H 0.505282 6.373516 1.067375
H 0.071256 7.458122 -0.264177
H -0.270888 5.452558 -2.631529
H -1.278385 6.794710 -2.013511
H -1.962683 5.164603 -2.121707


%chk=000239117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239117

0 1
N -4.653034 -3.185268 -0.423495
N -0.385030 5.570509 -0.657988
C -0.031513 0.024211 1.111632
C 1.320326 -0.611052 0.734742
C -1.223755 -0.854748 0.696139
C -0.163101 1.479805 0.630134
C 3.806413 -1.892593 0.060182
C 5.130474 -2.577301 -0.292633
C 1.838093 -1.667027 1.526057
C 2.066653 -0.204638 -0.399087
C 3.058851 -2.294245 1.196347
C 3.286032 -0.835582 -0.730189
C -2.441160 -0.775773 1.418536
C 0.507456 2.514714 1.330433
C -1.187019 -1.732954 -0.413531
C -0.910070 1.851964 -0.513093
C -3.534221 -2.420992 -0.060298
C -0.310648 4.233868 -0.238443
C 5.060157 -3.280609 -1.674700
C 6.321866 -1.583594 -0.241343
C -3.572189 -1.533111 1.062125
C 0.443245 3.858700 0.919396
C -2.307518 -2.500602 -0.790826
C -0.988808 3.191691 -0.944727
C -5.889656 -3.092546 0.357972
C -4.577459 -4.092555 -1.572206
C 0.319033 6.615004 0.091822
C -1.176278 5.923094 -1.840470
H -0.049647 0.064169 2.221952
H 5.313775 -3.359937 0.471797
H 1.273184 -2.004366 2.404578
H 1.693794 0.621700 -1.014528
H 3.440260 -3.106703 1.828412
H 3.839301 -0.494734 -1.614454
H -2.508144 -0.098604 2.280229
H 1.101439 2.260897 2.218458
H -0.259740 -1.833102 -0.989361
H -1.455749 1.082051 -1.070537
H 4.239913 -4.020319 -1.703401
H 6.009585 -3.803627 -1.895914
H 4.881379 -2.547526 -2.483314
H 6.200693 -0.781858 -0.993505
H 7.274756 -2.104537 -0.452612
H 6.399086 -1.104848 0.751414
H -4.483118 -1.435072 1.660077
H 0.976033 4.616040 1.501831
H -2.220371 -3.167362 -1.653872
H -1.586635 3.423781 -1.831000
H -5.736239 -3.392416 1.415862
H -6.648958 -3.762985 -0.075560
H -6.305196 -2.063281 0.356090
H -3.802519 -4.875438 -1.433418
H -4.344183 -3.550826 -2.512466
H -5.547433 -4.597778 -1.706171
H 1.414465 6.438121 0.119090
H -0.037460 6.686304 1.140835
H 0.147793 7.591250 -0.389455
H -0.806447 5.412326 -2.754021
H -1.114465 7.009489 -2.013526
H -2.247493 5.658620 -1.717600


