%chk=000217857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217857

0 1
N 0.198369 -0.084413 -0.977588
N 2.788686 -3.120793 0.248605
C 0.858264 1.035406 -0.403311
C 2.012124 0.608059 0.240775
C 0.377068 2.439735 -0.476162
C 2.955304 1.536824 0.914808
C 1.517801 3.398088 -0.078488
C 2.285055 2.903243 1.158634
C 2.086551 -0.821497 0.105918
C 0.924668 -1.237362 -0.641387
C -1.117715 -0.058567 -1.636331
C 2.990909 -1.818102 0.523622
C 0.708708 -2.598049 -0.930842
C -2.252818 0.093342 -0.647509
C 1.668589 -3.489527 -0.463008
C -3.181521 1.130880 -0.807416
C -2.390758 -0.810580 0.415611
C -4.246168 1.258161 0.089980
C -3.454044 -0.675918 1.311749
C -4.384106 0.356535 1.149636
H 0.008374 2.691776 -1.489762
H -0.490317 2.568544 0.208055
H 3.303828 1.108657 1.875968
H 3.863262 1.661439 0.287677
H 2.220224 3.504134 -0.928535
H 1.104846 4.405463 0.112619
H 1.589505 2.821599 2.016787
H 3.049234 3.647295 1.448451
H -1.255619 -1.001482 -2.220537
H -1.123812 0.769738 -2.385150
H 3.892650 -1.562087 1.089312
H -0.156272 -2.933447 -1.488721
H 1.576932 -4.566169 -0.643087
H -3.081168 1.838945 -1.627366
H -1.662481 -1.611821 0.549457
H -4.968448 2.063095 -0.037123
H -3.557111 -1.377084 2.139158
H -5.212694 0.458139 1.848201


%chk=000217857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217857

0 1
N 0.195333 -0.107179 -0.889774
N 2.906462 -3.193058 0.002426
C 0.880813 0.993497 -0.315525
C 2.080035 0.558177 0.247777
C 0.377068 2.410946 -0.323595
C 3.044467 1.491563 0.941820
C 1.537387 3.371500 0.057899
C 2.349964 2.841689 1.266650
C 2.159237 -0.870277 0.023408
C 0.963563 -1.258980 -0.685461
C -1.109051 -0.048843 -1.558234
C 3.096621 -1.887351 0.339329
C 0.746238 -2.607345 -1.041737
C -2.297408 0.153657 -0.614203
C 1.752352 -3.525731 -0.671822
C -3.437931 0.864472 -1.061582
C -2.295196 -0.394356 0.692152
C -4.564804 1.018006 -0.222328
C -3.419351 -0.238792 1.533650
C -4.558868 0.465296 1.079029
H -0.029563 2.689717 -1.316954
H -0.461833 2.524931 0.393967
H 3.429577 1.032613 1.873533
H 3.931600 1.674737 0.299995
H 2.216206 3.487194 -0.810198
H 1.124218 4.372314 0.284549
H 1.667115 2.705855 2.129247
H 3.107716 3.589703 1.567348
H -1.233132 -0.996967 -2.114459
H -1.098611 0.757270 -2.316464
H 4.025889 -1.658791 0.874953
H -0.148399 -2.951394 -1.570869
H 1.643635 -4.587736 -0.918908
H -3.446153 1.301381 -2.068691
H -1.412144 -0.935207 1.050854
H -5.440649 1.571033 -0.579898
H -3.406429 -0.666673 2.542353
H -5.430076 0.585325 1.732464


