%chk=000207100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207100

0 1
S 4.994775 1.249054 1.680690
S 5.942986 -0.758705 -0.282443
N 0.841351 -0.466139 -0.729855
N 3.421666 -0.586671 0.559953
C 1.289713 0.629300 0.190799
C 2.023190 -1.069779 -1.433580
C 2.253588 0.041807 1.241475
C 2.992552 -1.657526 -0.389923
C -0.154912 0.030502 -1.738738
C -1.344483 0.690605 -1.078712
C -2.242079 -0.058842 -0.240320
C 4.679506 -0.119464 0.584275
C -1.581756 2.026569 -1.320553
C -3.375001 0.600509 0.308585
C -2.042459 -1.443195 0.066941
C -2.715031 2.680481 -0.761173
C -3.593228 1.987513 0.031530
C -4.286368 -0.132207 1.134950
C -2.930288 -2.122793 0.862711
C -4.070292 -1.460091 1.402506
H 0.390392 1.032456 0.712565
H 1.767466 1.481491 -0.338508
H 2.562923 -0.349153 -2.087203
H 1.658112 -1.891689 -2.088127
H 2.548995 0.826007 1.969818
H 1.734599 -0.753261 1.831951
H 2.493673 -2.460290 0.201606
H 3.867765 -2.126615 -0.900023
H -0.509277 -0.858432 -2.315147
H 0.301324 0.719580 -2.486199
H -0.910859 2.610182 -1.949187
H -1.158516 -1.947297 -0.329747
H -2.868637 3.736636 -0.978594
H -4.466420 2.475913 0.461119
H -5.151559 0.387022 1.543864
H -2.777381 -3.175104 1.095853
H -4.759123 -2.025469 2.028224
H 6.337192 1.337095 1.487417


%chk=000207100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207100

0 1
S 5.185064 1.060258 1.842539
S 6.067261 -1.169733 -0.124825
N 0.873283 -0.329080 -0.750277
N 3.461698 -0.567730 0.504179
C 1.394427 0.753896 0.115879
C 1.985044 -1.037660 -1.431109
C 2.358512 0.172755 1.169008
C 2.956672 -1.634708 -0.397689
C -0.161388 0.134221 -1.717398
C -1.399110 0.740833 -1.068717
C -2.272163 -0.043800 -0.222962
C 4.800258 -0.327522 0.655367
C -1.732156 2.072984 -1.346093
C -3.476836 0.567917 0.307444
C -2.001791 -1.415604 0.105460
C -2.913458 2.678046 -0.814669
C -3.772044 1.936714 -0.003957
C -4.358113 -0.211505 1.128590
C -2.882066 -2.150180 0.904229
C -4.071588 -1.545958 1.420957
H 0.547052 1.237722 0.632311
H 1.929165 1.539206 -0.476555
H 2.554459 -0.360686 -2.116429
H 1.565820 -1.860185 -2.040324
H 2.760644 0.982781 1.796248
H 1.805816 -0.533847 1.817986
H 2.428800 -2.387714 0.219210
H 3.822250 -2.107102 -0.888703
H -0.451628 -0.752076 -2.317332
H 0.263254 0.881555 -2.433447
H -1.072965 2.665500 -1.992416
H -1.072198 -1.866188 -0.253138
H -3.139756 3.722709 -1.053783
H -4.684692 2.388738 0.402586
H -5.266373 0.260918 1.521966
H -2.660749 -3.196120 1.144766
H -4.751999 -2.133569 2.047169
H 6.545694 0.914218 1.662728


