%chk=000298443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298443

0 1
N -1.121259 0.014022 -0.730489
N -1.803157 -0.018519 0.308774
C 5.292622 -0.006159 0.690279
C 4.622287 0.031392 -0.705828
C 3.120481 0.025377 -0.661179
C 4.934083 1.230742 1.520456
C 4.942240 -1.290544 1.448743
C 2.414449 -1.189068 -0.679760
C 2.406783 1.234476 -0.611745
C 1.019902 -1.202980 -0.645600
C 1.012187 1.237643 -0.577140
C 0.322696 0.014802 -0.599414
C -3.247346 -0.019573 0.186198
C -3.933814 -1.244806 0.167562
C -3.941674 1.200192 0.239725
C -5.329715 -1.239609 0.215118
C -5.337503 1.183233 0.286622
C -6.032042 -0.031153 0.275244
H 6.399802 0.002407 0.515544
H 4.986812 -0.831172 -1.300701
H 4.981272 0.928649 -1.250679
H 3.860911 1.266026 1.745850
H 5.191016 2.156918 0.997407
H 5.465421 1.233270 2.478203
H 5.474552 -1.344560 2.404424
H 3.869519 -1.345036 1.672454
H 5.204088 -2.183829 0.873518
H 2.958892 -2.131882 -0.717245
H 2.945254 2.181328 -0.596172
H 0.477588 -2.146793 -0.658006
H 0.463912 2.177222 -0.536750
H -3.384802 -2.183067 0.119212
H -3.398706 2.143177 0.246911
H -5.872684 -2.184208 0.202834
H -5.886532 2.123404 0.329963
H -7.119634 -0.035723 0.311670


%chk=000298443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298443

0 1
N -1.146386 -0.132726 -0.543307
N -1.905069 0.507668 0.310586
C 5.373438 -0.159513 0.617648
C 4.583425 0.772372 -0.367842
C 3.078289 0.561522 -0.396888
C 4.989779 0.087294 2.095375
C 5.230807 -1.654896 0.250752
C 2.482935 -0.338274 -1.321378
C 2.222230 1.258917 0.505129
C 1.089550 -0.543354 -1.340316
C 0.831298 1.063411 0.499099
C 0.251674 0.152020 -0.429639
C -3.305990 0.221392 0.192462
C -4.138987 0.897717 1.122469
C -3.880888 -0.663442 -0.764555
C -5.534955 0.694443 1.102087
C -5.274093 -0.859997 -0.778506
C -6.106027 -0.184476 0.151891
H 6.441519 0.119796 0.494581
H 4.996193 0.614814 -1.383594
H 4.803346 1.821408 -0.087161
H 3.936229 -0.187835 2.284630
H 5.121646 1.149784 2.375535
H 5.623318 -0.521141 2.767234
H 5.866262 -2.277986 0.907142
H 4.185980 -1.995275 0.369465
H 5.534996 -1.844973 -0.796069
H 3.120315 -0.874007 -2.034477
H 2.665957 1.970412 1.212035
H 0.621552 -1.232187 -2.051499
H 0.172770 1.600313 1.188611
H -3.666933 1.572186 1.844638
H -3.219788 -1.173451 -1.471846
H -6.174791 1.217276 1.821181
H -5.721680 -1.539601 -1.512685
H -7.190019 -0.344011 0.133217


