%chk=000222308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222308

0 1
N -5.689659 -0.198452 0.086734
N -9.021750 -0.957631 -0.132038
C 1.841641 -0.355777 -0.008244
C 0.594927 0.539205 -0.002360
C 3.130261 0.477695 -0.002145
C -0.693032 -0.295173 -0.008855
C 4.376846 -0.417462 -0.008217
C -1.940046 0.599568 -0.002771
C 5.665815 0.415510 -0.002222
C -3.224540 -0.238137 -0.008125
C 6.911998 -0.479822 -0.008148
C 8.202361 0.351992 -0.002098
C -4.469461 0.663223 -0.004270
C 9.445960 -0.534314 -0.007927
C -6.939387 0.619441 -0.006059
C -8.098353 -0.266472 -0.075403
H 1.826251 -1.017802 -0.895480
H 1.825680 -1.029601 0.870193
H 0.611424 1.200072 0.885827
H 0.612323 1.213419 -0.880256
H 3.147179 1.151685 -0.880212
H 3.146792 1.138977 0.885615
H -0.707522 -0.957700 -0.895808
H -0.708903 -0.969053 0.869951
H 4.360754 -1.091389 0.870020
H 4.361046 -1.079251 -0.895585
H -1.922616 1.258901 0.887116
H -1.921837 1.274090 -0.880541
H 5.682532 1.089296 -0.880446
H 5.682161 1.076990 0.885351
H -3.249135 -0.906329 0.878047
H -3.236085 -0.909668 -0.888012
H 6.897436 -1.142054 -0.894988
H 6.897031 -1.154176 0.869533
H 8.219413 1.013447 0.886132
H 8.219841 1.025730 -0.881018
H -4.465977 1.327099 -0.895756
H -4.453340 1.324981 0.891235
H 10.361396 0.067735 -0.003378
H 9.479356 -1.188687 0.870559
H 9.479936 -1.176345 -0.895429
H -5.679107 -0.904634 -0.659439
H -6.960636 1.327663 -0.872214
H -7.006272 1.245311 0.923629


%chk=000222308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222308

0 1
N -5.790849 -0.177176 -0.023006
N -9.194136 -0.988533 0.047120
C 1.850307 -0.340500 -0.012643
C 0.580959 0.540845 -0.009881
C 3.162869 0.475190 -0.004090
C -0.730186 -0.276977 -0.018793
C 4.431620 -0.407110 -0.006516
C -1.999538 0.604398 -0.016233
C 5.745179 0.407270 0.001880
C -3.305869 -0.220908 -0.021113
C 7.013503 -0.475745 -0.000869
C 8.327672 0.338557 0.007891
C -4.569185 0.659841 -0.015018
C 9.588827 -0.552634 0.004728
C -7.047146 0.597837 -0.006589
C -8.233257 -0.282388 0.032320
H 1.835868 -1.001051 -0.904880
H 1.831465 -1.012622 0.870753
H 0.595342 1.200725 0.882816
H 0.600058 1.213250 -0.893173
H 3.182479 1.147200 -0.887683
H 3.177903 1.135800 0.888126
H -0.743661 -0.936979 -0.911354
H -0.749098 -0.948845 0.864373
H 4.412154 -1.079108 0.877042
H 4.416544 -1.067995 -0.898528
H -1.984156 1.263625 0.876698
H -1.980192 1.275738 -0.900156
H 5.765088 1.079437 -0.881646
H 5.760853 1.067892 0.894147
H -3.337678 -0.889852 0.860156
H -3.318922 -0.876487 -0.917970
H 6.999561 -1.136333 -0.893181
H 6.995153 -1.148142 0.882482
H 8.340828 0.997950 0.899821
H 8.345098 1.010284 -0.874717
H -4.528568 1.372026 -0.878982
H -4.583648 1.276541 0.906313
H 10.514334 0.052108 0.011467
H 9.609078 -1.212316 0.892786
H 9.613678 -1.199494 -0.892605
H -5.778090 -0.877079 -0.776841
H -7.170542 1.294069 -0.875557
H -7.058999 1.229792 0.903601


