%chk=000245315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245315

0 1
N 4.422878 0.228629 -0.383566
N -4.272876 -0.568923 -0.509406
N 0.453468 -0.186933 0.978325
N -0.554648 0.697090 0.684734
C 3.896429 -1.054876 0.180686
C 3.686886 1.494872 -0.087812
C 2.748644 -0.831295 1.202619
C 2.162843 1.242463 -0.177794
C -3.210094 -1.607229 -0.309628
C -4.068456 0.686639 0.285572
C 1.688759 0.095530 0.671358
C -1.836796 -0.990730 -0.690887
C -2.723081 1.321635 -0.129378
C -1.602910 0.320057 0.012244
C 3.380795 -1.889072 -1.007842
C 5.035592 -1.817634 0.892010
C 4.099946 2.505317 -1.179226
C 4.054825 2.075472 1.296522
C -5.249830 1.637625 -0.009678
C -3.535087 -2.770533 -1.267131
C -3.158220 -2.132275 1.140143
C -5.269172 2.838212 0.930421
H 3.150262 -0.394778 2.143485
H 2.312642 -1.808119 1.497851
H 1.887381 1.038895 -1.235585
H 1.611776 2.167764 0.095670
H 5.422849 0.341546 -0.201271
H -4.034168 0.476598 1.387673
H -1.803163 -0.818558 -1.786957
H -1.032428 -1.719330 -0.467160
H -2.535454 2.231707 0.476350
H -2.771049 1.656897 -1.186756
H -5.198638 -0.964067 -0.315457
H 2.555366 -1.378224 -1.516609
H 4.167999 -2.031826 -1.757080
H 3.027025 -2.872696 -0.690560
H 5.446423 -1.254677 1.735184
H 4.685349 -2.779663 1.281172
H 5.859300 -2.037532 0.203187
H 5.159599 2.769383 -1.108414
H 3.522446 3.430841 -1.106253
H 3.944167 2.085355 -2.181105
H 5.125521 2.279045 1.380828
H 3.780505 1.392091 2.108328
H 3.530770 3.018641 1.482313
H -6.206894 1.085793 0.076872
H -5.203582 1.974822 -1.064490
H -2.721416 -3.501403 -1.295338
H -3.694407 -2.406330 -2.290204
H -4.443160 -3.303287 -0.968578
H -4.130711 -2.492345 1.483330
H -2.818597 -1.357063 1.838376
H -2.449503 -2.961829 1.236657
H -5.330389 2.532187 1.981340
H -4.368877 3.454956 0.822167
H -6.131540 3.483565 0.726351


%chk=000245315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245315

0 1
N 4.547136 0.431424 -0.111751
N -4.391264 -0.642242 -0.202373
N 0.464846 -0.541558 0.396861
N -0.482516 0.508029 0.125027
C 4.095753 -0.993704 -0.139019
C 3.639174 1.551334 0.266695
C 2.788630 -1.171316 0.691750
C 2.196736 1.196668 -0.177451
C -3.388630 -1.707508 0.105621
C -4.049826 0.746357 0.194412
C 1.723737 -0.163329 0.306258
C -2.059562 -1.328912 -0.624723
C -2.728767 1.146886 -0.520277
C -1.655836 0.098713 -0.314558
C 3.847767 -1.443821 -1.608356
C 5.214235 -1.872816 0.472422
C 4.105603 2.820397 -0.493389
C 3.670261 1.858341 1.798808
C -5.225139 1.675036 -0.188843
C -3.933508 -3.032933 -0.469767
C -3.115808 -1.870331 1.631540
C -5.048584 3.136632 0.274893
H 3.034852 -1.042784 1.765999
H 2.384501 -2.192612 0.577620
H 2.152473 1.210492 -1.286072
H 1.475444 1.963117 0.160710
H 5.496517 0.550686 0.257072
H -3.879802 0.848400 1.296079
H -2.235235 -1.420852 -1.715066
H -1.248934 -2.018856 -0.337645
H -2.358191 2.119706 -0.156343
H -2.952352 1.232594 -1.603748
H -5.331441 -0.908838 0.125074
H 3.048280 -0.843351 -2.076075
H 4.767665 -1.297199 -2.201043
H 3.554209 -2.510125 -1.659772
H 5.384653 -1.615661 1.534900
H 4.951679 -2.944309 0.413245
H 6.162987 -1.729536 -0.079658
H 5.134596 3.099022 -0.195199
H 3.444452 3.680951 -0.278199
H 4.106552 2.629832 -1.580587
H 4.707298 2.070314 2.123202
H 3.292593 1.011110 2.397360
H 3.053026 2.744577 2.038980
H -6.155107 1.265170 0.259856
H -5.360343 1.630514 -1.287211
H -3.196230 -3.846867 -0.348439
H -4.163156 -2.916572 -1.543602
H -4.861528 -3.338308 0.052123
H -4.054815 -2.108279 2.167310
H -2.688327 -0.950734 2.069990
H -2.395983 -2.688339 1.816992
H -4.892346 3.192723 1.368895
H -4.182979 3.618436 -0.214259
H -5.944153 3.736630 0.031333


