%chk=000254658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254658

0 1
N -5.092919 0.138272 0.448165
C 0.937246 0.703664 0.345081
C 2.160019 0.025693 -0.405247
C 1.558783 -1.416731 -0.219266
C -0.274762 0.180214 -0.512712
C 0.145602 -1.283025 -0.849449
C 0.939244 -0.059944 1.706257
C 1.357772 -1.502510 1.318912
C 0.986812 2.209327 0.484936
C 2.328724 0.442620 -1.869615
C 3.515228 0.223569 0.280005
C -1.630089 0.288006 0.191979
C -2.791247 -0.013143 -0.770727
C -4.073111 0.071295 -0.091711
H 2.158513 -2.230368 -0.638053
H -0.318839 0.777973 -1.451984
H 0.172397 -1.454700 -1.934929
H -0.551149 -2.024894 -0.433214
H -0.041820 -0.032880 2.199444
H 1.650698 0.393483 2.412690
H 2.282800 -1.810485 1.828267
H 0.590171 -2.240932 1.591230
H 1.889678 2.530535 1.018582
H 0.996219 2.705986 -0.492170
H 0.125016 2.593291 1.042502
H 2.663055 1.483451 -1.943863
H 1.407602 0.360881 -2.453998
H 3.079220 -0.181499 -2.367449
H 3.493007 0.002572 1.351560
H 3.860658 1.258036 0.176103
H 4.276110 -0.426459 -0.165606
H -1.670277 -0.402826 1.059016
H -1.749018 1.306447 0.614220
H -2.667240 -1.028197 -1.216452
H -2.774200 0.696076 -1.631006


%chk=000254658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254658

0 1
N -5.224310 0.159961 0.320267
C 0.949345 0.704021 0.366130
C 2.158300 0.014105 -0.406855
C 1.568695 -1.429216 -0.214339
C -0.280502 0.175684 -0.466303
C 0.138878 -1.301966 -0.822483
C 0.974101 -0.066671 1.728919
C 1.401328 -1.526028 1.332544
C 1.000786 2.228818 0.509551
C 2.314873 0.437893 -1.889460
C 3.538719 0.222791 0.264090
C -1.661661 0.301318 0.212456
C -2.808169 -0.000666 -0.796196
C -4.147458 0.085645 -0.189344
H 2.169291 -2.245237 -0.652689
H -0.327827 0.782468 -1.394871
H 0.140159 -1.479100 -1.913276
H -0.547913 -2.044629 -0.372513
H -0.003905 -0.032478 2.239359
H 1.701987 0.397232 2.419150
H 2.345410 -1.820055 1.824738
H 0.642422 -2.280283 1.609369
H 1.920855 2.549485 1.033032
H 0.977753 2.732553 -0.475798
H 0.143990 2.610338 1.096875
H 2.587576 1.508000 -1.963105
H 1.408657 0.281571 -2.497246
H 3.131374 -0.140920 -2.361444
H 3.543897 -0.005536 1.342183
H 3.876002 1.269470 0.141912
H 4.296069 -0.424623 -0.217510
H -1.748028 -0.398692 1.063893
H -1.804028 1.322435 0.615523
H -2.678283 -1.014866 -1.220680
H -2.758479 0.709976 -1.644381


