%chk=000235582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235582

0 1
N -4.981426 -1.558785 0.549939
N 4.676028 -1.336924 1.076669
C -0.103112 0.920592 -1.164850
C -1.386828 0.289170 -0.695012
C 1.143796 0.344631 -0.542245
C -1.925782 0.573310 0.580332
C 2.354874 1.072543 -0.565485
C -2.068916 -0.594009 -1.542734
C 1.131266 -0.931142 0.038857
C -3.133461 -0.012399 0.974768
C 3.512549 0.529686 0.002582
C -3.806892 -0.897621 0.109271
C 3.479910 -0.752716 0.584930
C -3.271588 -1.186274 -1.161946
C 2.276792 -1.485280 0.606268
C -1.221463 1.499539 1.519226
C 2.426404 2.427453 -1.198298
H -0.012797 0.827207 -2.270255
H -0.153623 2.015539 -0.972429
H -1.652021 -0.827127 -2.523547
H 0.202429 -1.507280 0.052319
H -3.542475 0.201896 1.957507
H 4.442358 1.089566 -0.024416
H -3.776824 -1.873587 -1.832248
H 2.240728 -2.478258 1.042774
H -1.665693 1.509951 2.521706
H -0.163374 1.212344 1.636413
H -1.235806 2.531637 1.142919
H 2.201743 2.371376 -2.273321
H 1.704250 3.121329 -0.745636
H 3.418323 2.887360 -1.102839
H -5.495368 -1.106669 1.291777
H -5.592268 -1.909690 -0.173073
H 5.406017 -0.693488 1.345027
H 4.560750 -2.077481 1.753249


%chk=000235582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235582

0 1
N -5.102898 -1.511241 0.437605
N 4.730168 -1.324630 1.153866
C -0.101492 0.971985 -1.110235
C -1.416393 0.334267 -0.684456
C 1.168311 0.373465 -0.486389
C -2.008262 0.608543 0.587716
C 2.413905 1.069493 -0.577095
C -2.087359 -0.562835 -1.550555
C 1.155643 -0.889220 0.153754
C -3.227127 -0.011653 0.941692
C 3.582532 0.494186 -0.029299
C -3.894848 -0.912262 0.063086
C 3.559975 -0.773756 0.617533
C -3.303565 -1.183436 -1.201410
C 2.319921 -1.463770 0.701582
C -1.345279 1.567251 1.562488
C 2.501239 2.425281 -1.260182
H -0.018787 0.905906 -2.215746
H -0.125712 2.057867 -0.885266
H -1.641722 -0.783495 -2.528869
H 0.207616 -1.434007 0.226125
H -3.673397 0.209549 1.920510
H 4.533233 1.038779 -0.106091
H -3.794579 -1.870954 -1.901212
H 2.271140 -2.444256 1.191835
H -1.902631 1.624377 2.513295
H -0.308485 1.256118 1.787722
H -1.288371 2.591598 1.144726
H 2.114755 2.385792 -2.296396
H 1.902216 3.189677 -0.727023
H 3.543319 2.786071 -1.302004
H -5.524207 -1.313209 1.339703
H -5.579136 -2.154389 -0.186921
H 5.614445 -0.829968 1.092939
H 4.714335 -2.230725 1.611171


