%chk=000211169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211169

0 1
N 1.502026 2.788678 -0.476665
N -1.224171 2.583857 1.084032
N 2.972223 -2.520993 -2.697737
N -5.004798 -1.737161 -0.536830
C 0.242613 3.480421 -0.868084
C -0.829260 3.725825 0.218403
C 2.006084 3.147137 0.874694
C -0.102809 2.025009 1.911162
C 1.086110 2.971610 2.104033
C 1.466180 1.314199 -0.730259
C -1.916928 1.510930 0.299008
C 2.892883 0.828803 -1.063083
C -2.728163 0.611365 1.254245
C 2.876867 -0.602003 -1.457968
C -3.408332 -0.469712 0.497191
C 2.650203 -1.723123 -0.573444
C -2.764063 -1.635931 -0.065131
C 3.065784 -1.111337 -2.733931
C -4.759383 -0.554798 0.197629
C 2.713691 -2.913145 -1.376769
C -3.787102 -2.413338 -0.706776
C 2.401790 -1.844090 0.806123
C -1.435712 -2.100676 -0.092266
C 2.532163 -4.198241 -0.824046
C -3.501322 -3.628275 -1.363963
C 2.221208 -3.106655 1.344513
C -1.158546 -3.292570 -0.738940
C 2.286665 -4.271806 0.535290
C -2.183077 -4.047950 -1.367938
H -0.212786 2.939833 -1.725948
H 0.558943 4.473107 -1.268762
H -0.493905 4.545739 0.894455
H -1.752408 4.109325 -0.272077
H 2.314494 4.216736 0.815202
H 2.943288 2.567930 1.038515
H 0.269969 1.049946 1.509021
H -0.557314 1.808643 2.906441
H 1.694316 2.602427 2.952995
H 0.711129 3.964045 2.428346
H 0.801576 1.104241 -1.596576
H 1.061022 0.727554 0.128757
H -1.224445 0.888754 -0.307442
H -2.614977 1.992187 -0.420450
H 3.320488 1.463167 -1.867878
H 3.561774 0.976291 -0.189424
H -2.068256 0.166035 2.027383
H -3.456871 1.232085 1.815876
H 3.257982 -0.587164 -3.652502
H -5.554410 0.123603 0.447353
H 3.066350 -3.129291 -3.485149
H -5.897256 -2.038771 -0.869443
H 2.359999 -0.952153 1.427160
H -0.646930 -1.526296 0.390026
H 2.587209 -5.085475 -1.444499
H -4.286391 -4.202195 -1.841974
H 2.025637 -3.224298 2.408134
H -0.134743 -3.666480 -0.770875
H 2.138664 -5.241953 1.008528
H -1.912576 -4.979904 -1.862087


%chk=000211169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211169

0 1
N 1.410894 2.596954 -0.268023
N -1.323851 2.712044 0.983042
N 3.273623 -2.491356 -2.867153
N -5.212235 -1.645917 -0.575243
C 0.336971 3.389669 -0.881273
C -0.805408 3.789744 0.116981
C 1.906929 3.055684 1.036079
C -0.368778 2.145845 1.983123
C 0.885938 3.004509 2.244803
C 1.571211 1.180245 -0.624413
C -2.073223 1.662665 0.258868
C 3.013977 0.806861 -1.090591
C -3.023973 0.852135 1.184112
C 3.111294 -0.632434 -1.534210
C -3.671171 -0.307276 0.466964
C 2.969004 -1.821253 -0.704818
C -3.011166 -1.529329 0.025860
C 3.293495 -1.086731 -2.840634
C -5.006775 -0.420654 0.082545
C 3.072226 -2.970936 -1.568956
C -4.002207 -2.348604 -0.624182
C 2.765536 -2.030650 0.686360
C -1.678870 -2.015959 0.123422
C 2.971129 -4.295043 -1.086453
C -3.697941 -3.615477 -1.170984
C 2.664008 -3.347741 1.174842
C -1.366734 -3.277617 -0.418538
C 2.763040 -4.468926 0.297158
C -2.366761 -4.068124 -1.060580
H -0.085238 2.805598 -1.720044
H 0.736605 4.334917 -1.318127
H -0.445540 4.615024 0.758054
H -1.653042 4.203648 -0.465387
H 2.276743 4.097370 0.934729
H 2.791218 2.441833 1.289332
H -0.037418 1.129754 1.661237
H -0.898686 2.005826 2.947717
H 1.398359 2.581252 3.131503
H 0.576033 4.026633 2.534812
H 0.876938 0.945327 -1.452307
H 1.293448 0.496361 0.210732
H -1.388258 0.942448 -0.253730
H -2.679970 2.145982 -0.530446
H 3.292889 1.488635 -1.915086
H 3.721563 1.006328 -0.260115
H -2.444484 0.471699 2.047900
H -3.786184 1.541023 1.592825
H 3.437091 -0.510602 -3.753348
H -5.827398 0.279038 0.233258
H 3.384507 -3.066706 -3.698520
H -6.100954 -1.974470 -0.944770
H 2.693831 -1.179840 1.373767
H -0.898541 -1.421961 0.613173
H 3.050928 -5.159151 -1.755951
H -4.461777 -4.228971 -1.662763
H 2.506094 -3.520949 2.245151
H -0.340758 -3.656851 -0.348955
H 2.678816 -5.481772 0.706827
H -2.094603 -5.046051 -1.473977


