%chk=000219118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219118

0 1
N -1.413846 3.530990 -0.311253
C -1.432933 -3.203399 0.824343
C -2.182630 -1.212165 0.013316
C -2.452976 -2.109227 1.260084
C -1.956069 -3.568160 -0.594914
C -2.456541 -2.207154 -1.154961
C -0.136454 -2.357402 0.653739
C -0.667770 -1.048339 0.093897
C 0.059564 0.017250 -0.261476
C -0.537022 1.277439 -0.827365
C 1.534838 0.029751 -0.114494
C -0.824358 2.292313 0.296557
C 2.355602 -0.190692 -1.231749
C 2.116061 0.271894 1.140210
C 3.745452 -0.168818 -1.091620
C 3.506858 0.294007 1.272519
C -1.191783 4.709542 0.579290
C -2.872967 3.355978 -0.577894
C 4.323667 0.073504 0.158845
H -1.325683 -4.058133 1.498711
H -2.756522 -0.281012 -0.038888
H -2.205505 -1.626586 2.212036
H -3.485886 -2.467340 1.326877
H -2.769668 -4.305662 -0.540467
H -1.168257 -4.005978 -1.223493
H -1.919598 -1.916365 -2.069277
H -3.526673 -2.239495 -1.402888
H 0.592310 -2.828960 -0.024519
H 0.381656 -2.205234 1.614671
H -1.461323 1.056768 -1.396704
H 0.152145 1.737344 -1.567639
H -1.470869 1.832028 1.072416
H 0.134555 2.551408 0.797194
H 1.905409 -0.377425 -2.204522
H 1.480357 0.442621 2.005999
H 4.380046 -0.339719 -1.959385
H 3.955572 0.484046 2.245733
H -0.107348 4.873829 0.687974
H -1.634733 4.625616 1.581785
H -1.603899 5.608493 0.093545
H -3.246219 4.245719 -1.109594
H -3.493026 3.201595 0.316815
H -3.014857 2.494519 -1.250145
H 5.405726 0.091515 0.264393


%chk=000219118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219118

0 1
N -1.299200 3.600347 -0.456772
C -1.444693 -3.355575 0.872977
C -2.249523 -1.323783 0.206053
C -2.521436 -2.341399 1.356142
C -1.887387 -3.617992 -0.600569
C -2.496498 -2.235277 -1.047573
C -0.179702 -2.446327 0.865575
C -0.731263 -1.119760 0.305299
C -0.021435 -0.043329 -0.154633
C -0.716601 1.159731 -0.793101
C 1.474107 0.033552 -0.051063
C -0.797098 2.361331 0.184601
C 2.264505 0.422505 -1.169906
C 2.152073 -0.252189 1.167280
C 3.671331 0.501664 -1.080931
C 3.558218 -0.167591 1.262244
C -1.028715 4.796634 0.367117
C -2.721503 3.519832 -0.845183
C 4.327904 0.206452 0.136430
H -1.327427 -4.268922 1.478843
H -2.854286 -0.404260 0.218481
H -2.313772 -1.934419 2.362093
H -3.549752 -2.745653 1.331188
H -2.643261 -4.422772 -0.648945
H -1.033296 -3.923240 -1.231481
H -2.013617 -1.830115 -1.953443
H -3.581206 -2.321188 -1.247296
H 0.652500 -2.848437 0.258845
H 0.196659 -2.335151 1.901100
H -1.726087 0.878530 -1.139211
H -0.159552 1.508051 -1.683202
H -1.420703 2.067902 1.070896
H 0.221713 2.568269 0.562929
H 1.775275 0.647762 -2.124451
H 1.565498 -0.516111 2.053764
H 4.255196 0.793579 -1.961564
H 4.052123 -0.384766 2.216536
H 0.054397 4.870107 0.570530
H -1.566011 4.792668 1.350668
H -1.335896 5.704763 -0.182935
H -3.021303 4.459845 -1.342322
H -3.406279 3.356156 0.027890
H -2.878997 2.697019 -1.562805
H 5.419400 0.272461 0.207606


