%chk=000258986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258986

0 1
N -2.097425 0.588803 0.119693
N 0.704112 -0.098980 -0.150329
N -4.325317 -1.979997 -0.692159
C -1.454683 0.426556 -1.228746
C -1.426862 -0.341020 1.090998
C -3.590798 0.440489 0.089733
C 0.033153 0.819100 -1.125999
C 0.065252 0.030226 1.201893
C 2.147775 0.083225 -0.074378
C -4.198599 1.461102 -0.890280
C -4.167893 0.679446 1.497452
C 2.942221 -1.078280 0.089277
C -4.006539 -0.925027 -0.351721
C 2.760912 1.341731 -0.188293
C 4.337707 -0.940630 0.129294
C 2.331608 -2.434169 0.225769
C 4.152219 1.455107 -0.152727
C 4.941031 0.313470 0.007201
H -1.953775 1.099494 -1.957821
H -1.543988 -0.612142 -1.619288
H -1.526846 -1.408791 0.792327
H -1.899019 -0.229607 2.090315
H 0.521919 0.689997 -2.115902
H 0.116731 1.892407 -0.846402
H 0.171271 1.053093 1.625333
H 0.572506 -0.672475 1.897428
H -3.925029 1.259462 -1.932873
H -5.293505 1.462652 -0.836641
H -3.851715 2.475796 -0.649945
H -3.873710 -0.098613 2.211840
H -5.263628 0.706651 1.480179
H -3.816883 1.641409 1.896459
H 2.153232 2.237671 -0.302263
H 4.960038 -1.825718 0.253624
H 2.983582 -3.227446 -0.159325
H 2.112363 -2.663549 1.277335
H 1.376058 -2.503405 -0.321909
H 4.619008 2.433388 -0.246583
H 6.025414 0.398775 0.036636


%chk=000258986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258986

0 1
N -2.124018 0.586539 0.147730
N 0.744960 0.151346 -0.106759
N -4.046964 -2.027416 -1.130134
C -1.422988 0.689627 -1.165978
C -1.406317 -0.393419 1.015182
C -3.605388 0.362942 0.048833
C 0.041182 1.122133 -0.966694
C 0.058982 0.033401 1.202701
C 2.179235 0.151521 -0.114241
C -4.270945 1.486687 -0.795256
C -4.252078 0.366815 1.463096
C 2.897107 -1.029238 0.272880
C -3.899114 -0.963789 -0.606017
C 2.907923 1.292146 -0.556714
C 4.312289 -0.998957 0.240898
C 2.180249 -2.316927 0.639594
C 4.318015 1.289072 -0.594723
C 5.030779 0.142919 -0.180621
H -1.921054 1.450918 -1.787730
H -1.442071 -0.282604 -1.713411
H -1.433871 -1.420285 0.577744
H -1.884985 -0.423195 2.007245
H 0.539403 1.160649 -1.951412
H 0.048676 2.150023 -0.529352
H 0.084520 1.010242 1.741395
H 0.575302 -0.708911 1.830413
H -3.996066 1.439827 -1.860978
H -5.368550 1.398953 -0.731963
H -3.963521 2.464297 -0.384521
H -3.965031 -0.509013 2.066601
H -5.350919 0.359075 1.369180
H -3.942066 1.286560 1.989320
H 2.369094 2.196170 -0.858747
H 4.860020 -1.905953 0.526727
H 2.805851 -3.192012 0.391447
H 1.949151 -2.383406 1.721678
H 1.224765 -2.397449 0.090626
H 4.854479 2.181627 -0.936781
H 6.125860 0.129286 -0.202057


