%chk=000238380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238380

0 1
N 5.777408 0.725353 0.475300
N -3.311975 3.648769 -0.119545
N -1.688500 -3.605436 -1.119885
C 0.278432 -0.813288 -0.029001
C 1.705982 -0.437632 0.082827
C -0.679783 0.313333 -0.030134
C 4.436904 0.278578 0.277268
C -2.492767 2.483144 -0.040899
C 2.563620 -1.121031 0.959595
C -1.610281 0.460240 -1.071743
C 2.226977 0.613626 -0.690493
C -0.658420 1.265594 1.001053
C 3.908019 -0.774777 1.059777
C -2.506108 1.524736 -1.082134
C 3.569900 0.965749 -0.605641
C -1.555017 2.330015 1.007652
C -0.081517 -2.106781 -0.137683
C -1.458596 -2.617570 -0.202312
C 6.734551 -0.277470 1.020585
C 6.386016 1.507857 -0.636430
C -4.551530 3.532715 -0.937285
C -3.570654 4.365334 1.160246
C -2.476850 -2.153921 0.660197
C -3.750298 -2.714304 0.566218
C -2.935628 -4.133994 -1.198246
C -3.994859 -3.719348 -0.375187
H 2.172523 -1.932253 1.575075
H -1.630609 -0.272159 -1.881417
H 1.568027 1.158206 -1.369872
H 0.070683 1.168508 1.807293
H 4.543233 -1.316189 1.756762
H -3.207068 1.617786 -1.908428
H 3.940608 1.785375 -1.216651
H -1.511267 3.052370 1.819101
H 0.681233 -2.891362 -0.212682
H 6.355771 -0.662945 1.983863
H 7.699275 0.212495 1.230287
H 6.913751 -1.131215 0.348638
H 7.373757 1.883187 -0.323020
H 5.760652 2.393285 -0.848803
H 6.508660 0.934422 -1.568429
H -5.033592 4.520872 -1.014542
H -5.283719 2.815630 -0.535037
H -4.287743 3.224963 -1.964964
H -4.146439 3.776762 1.891091
H -4.117748 5.299554 0.953242
H -2.609217 4.654350 1.621101
H -2.261880 -1.365119 1.378746
H -4.549408 -2.370889 1.222306
H -3.073956 -4.918144 -1.951391
H -4.977255 -4.170981 -0.468369


%chk=000238380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238380

0 1
N 5.843912 0.476874 0.271246
N -3.511590 3.662299 -0.002507
N -1.532419 -4.009547 -0.763996
C 0.206215 -0.771351 -0.122400
C 1.654193 -0.443200 -0.005195
C -0.759335 0.367690 -0.085379
C 4.480037 0.178105 0.182060
C -2.611589 2.591232 -0.031032
C 2.588470 -1.363052 0.554436
C -1.767899 0.519211 -1.076249
C 2.177921 0.804319 -0.451085
C -0.687292 1.371293 0.919486
C 3.958307 -1.071846 0.649100
C -2.670454 1.595884 -1.060359
C 3.545708 1.112610 -0.369707
C -1.588555 2.449986 0.961561
C -0.173918 -2.092797 -0.302120
C -1.493187 -2.735548 -0.217462
C 6.777355 -0.505813 0.834317
C 6.342982 1.776114 -0.193684
C -4.544179 3.783728 -1.038415
C -3.410709 4.677649 1.051672
C -2.639230 -2.189828 0.441579
C -3.825346 -2.944040 0.514698
C -2.693725 -4.715040 -0.689336
C -3.869548 -4.234006 -0.068628
H 2.223819 -2.317052 0.952164
H -1.834214 -0.222916 -1.879811
H 1.495084 1.540058 -0.889932
H 0.086273 1.294765 1.692487
H 4.623060 -1.811764 1.104099
H -3.416442 1.667924 -1.856960
H 3.889301 2.080961 -0.744540
H -1.493490 3.183080 1.767744
H 0.612287 -2.821233 -0.537370
H 6.543995 -0.739957 1.893638
H 7.801770 -0.102871 0.795147
H 6.764542 -1.457797 0.265521
H 7.430322 1.832856 -0.026858
H 5.870761 2.618411 0.352441
H 6.156477 1.927189 -1.276941
H -5.163837 4.671625 -0.835736
H -5.213355 2.899368 -1.057740
H -4.104962 3.898516 -2.051076
H -3.541951 4.237624 2.061551
H -4.197912 5.434736 0.908814
H -2.430825 5.197968 1.032998
H -2.585842 -1.197679 0.895098
H -4.703580 -2.534865 1.026869
H -2.669967 -5.714312 -1.142146
H -4.774139 -4.849558 -0.034061


