This commit is contained in:
Pierre-Francois Loos 2021-03-25 15:22:42 +01:00
parent e78868d4bc
commit ea3f206e59
6 changed files with 0 additions and 920 deletions

View File

@ -1,58 +0,0 @@
\relax
\providecommand\hyper@newdestlabel[2]{}
\providecommand\HyperFirstAtBeginDocument{\AtBeginDocument}
\HyperFirstAtBeginDocument{\ifx\hyper@anchor\@undefined
\global\let\oldcontentsline\contentsline
\gdef\contentsline#1#2#3#4{\oldcontentsline{#1}{#2}{#3}}
\global\let\oldnewlabel\newlabel
\gdef\newlabel#1#2{\newlabelxx{#1}#2}
\gdef\newlabelxx#1#2#3#4#5#6{\oldnewlabel{#1}{{#2}{#3}}}
\AtEndDocument{\ifx\hyper@anchor\@undefined
\let\contentsline\oldcontentsline
\let\newlabel\oldnewlabel
\fi}
\fi}
\global\let\hyper@last\relax
\gdef\HyperFirstAtBeginDocument#1{#1}
\providecommand\HyField@AuxAddToFields[1]{}
\providecommand\HyField@AuxAddToCoFields[2]{}
\citation{bally_cyclobutadiene_1980}
\citation{noauthor_aromaticity_nodate}
\citation{baeyer_ueber_1885}
\citation{reeves_further_1969}
\citation{irngartinger_bonding_1983,ermer_three_1983,kreile_uv_1986}
\bibdata{CBDNotes,CBD}
\bibcite{bally_cyclobutadiene_1980}{{1}{}{{Bally and Masamune}}{{Bally, and Masamune}}}
\bibcite{noauthor_aromaticity_nodate}{{2}{}{{noa}}{{}}}
\bibcite{baeyer_ueber_1885}{{3}{}{{Baeyer}}{{}}}
\newlabel{FirstPage}{{}{1}{}{section*.1}{}}
\@writefile{toc}{\contentsline {title}{Reference energies for cyclobutadiene}{1}{section*.2}\protected@file@percent }
\@writefile{toc}{\contentsline {abstract}{Abstract}{1}{section*.1}\protected@file@percent }
\@writefile{toc}{\contentsline {section}{\numberline {I}Introduction}{1}{section*.3}\protected@file@percent }
\newlabel{sec:intro}{{I}{1}{}{section*.3}{}}
\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces Here comes the caption of the figure.}}{1}{figure.1}\protected@file@percent }
\newlabel{fig:CBD}{{1}{1}{Here comes the caption of the figure}{figure.1}{}}
\@writefile{toc}{\contentsline {section}{\numberline {II}Computational methods}{1}{section*.4}\protected@file@percent }
\newlabel{sec:compdet}{{II}{1}{}{section*.4}{}}
\@writefile{toc}{\contentsline {subsection}{\numberline {A}CIPSI}{1}{section*.5}\protected@file@percent }
\newlabel{sec:CIPSI}{{II\tmspace +\thinmuskip {.1667em}A}{1}{}{section*.5}{}}
\@writefile{toc}{\contentsline {subsection}{\numberline {B}Coupled-Cluster}{1}{section*.6}\protected@file@percent }
\newlabel{sec:CC}{{II\tmspace +\thinmuskip {.1667em}B}{1}{}{section*.6}{}}
\@writefile{toc}{\contentsline {subsection}{\numberline {C}CASPT2/NEVPT2}{1}{section*.7}\protected@file@percent }
\newlabel{sec:CAS}{{II\tmspace +\thinmuskip {.1667em}C}{1}{}{section*.7}{}}
\@writefile{toc}{\contentsline {subsection}{\numberline {D}Spin-Flip}{1}{section*.8}\protected@file@percent }
\newlabel{sec:sf}{{II\tmspace +\thinmuskip {.1667em}D}{1}{}{section*.8}{}}
\@writefile{toc}{\contentsline {section}{\numberline {III}Results and discussion}{1}{section*.9}\protected@file@percent }
\newlabel{sec:res}{{III}{1}{}{section*.9}{}}
\@writefile{toc}{\contentsline {subsection}{\numberline {A}Excited States}{1}{section*.10}\protected@file@percent }
\@writefile{toc}{\contentsline {subsection}{\numberline {B}Automerization}{1}{section*.11}\protected@file@percent }
\@writefile{toc}{\contentsline {section}{\numberline {IV}Conclusion}{1}{section*.12}\protected@file@percent }
\newlabel{sec:res}{{IV}{1}{}{section*.12}{}}
\@writefile{toc}{\contentsline {section}{\numberline {}Acknowledgments}{1}{section*.13}\protected@file@percent }
\bibcite{reeves_further_1969}{{4}{}{{Reeves et~al.}}{{Reeves, Henery, and Pettit}}}
\bibcite{irngartinger_bonding_1983}{{5}{}{{Irngartinger and Nixdorf}}{{Irngartinger, and Nixdorf}}}
\bibcite{ermer_three_1983}{{6}{}{{Ermer and Heilbronner}}{{Ermer, and Heilbronner}}}
\bibcite{kreile_uv_1986}{{7}{}{{Kreile et~al.}}{{Kreile, Münzel, Schweig, and Specht}}}
\bibstyle{achemso}
\newlabel{LastBibItem}{{7}{2}{}{section*.13}{}}
\newlabel{LastPage}{{}{2}{}{}{}}

View File

@ -1,849 +0,0 @@
This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020) (preloaded format=pdflatex 2020.6.14) 25 MAR 2021 15:21
entering extended mode
restricted \write18 enabled.
file:line:error style messages enabled.
%&-line parsing enabled.
**CBD.tex
(./CBD.tex
LaTeX2e <2020-02-02> patch level 5
L3 programming layer <2020-06-03>
(/Users/loos/Library/texmf/tex/latex/revtex4-2/tex/latex/revtex/revtex4-1.cls
Document Class: revtex4-1 2010/07/25/20:33:00 4.1r (http://publish.aps.org/revt
ex4/ for documentation)
Copyright (c) 2009 The American Physical Society.
mailto:revtex@aps.org
Licensed under the LPPL:
http://www.ctan.org/tex-archive/macros/latex/base/lppl.txt
Arthur Ogawa <arthur_ogawa at sbcglobal dot net>
Based on work by David Carlisle <david at dcarlisle.demon.co.uk>.
ltxutil[2010/07/25/20:33:00 4.1r utilities package (portions licensed from W. E
. Baxter web at superscript.com)]
LaTeX Info: Redefining \@centercr on input line 308.
Class revtex4-1 Info: Repairing broken LaTeX eqnarray on input line 358.
\eqncolsep=\skip47
Class revtex4-1 Info: Repairing hyperref-unfriendly LaTeX definition of \mpfoot
note on input line 433.
Class revtex4-1 Info: Repairing broken LateX \@sect on input line 755.
\intertabularlinepenalty=\count167
\@tbpen=\count168
\@arstrutbox@hline=\box45
Class revtex4-1 Info: Repairing broken LaTeX \@xbitor on input line 1786.
Class revtex4-1 Info: Making \typeout \long on input line 2046.
ltxfront[2010/07/25/20:33:00 4.1r frontmatter package (AO,DPC)]
\c@affil=\count169
\c@collab=\count170
\absbox=\box46
ltxgrid[2010/07/25/20:33:00 4.1r page grid package (portions licensed from W. E
. Baxter web at superscript.com)]
\c@linecount=\count171
\output@latex=\toks15
\box@size@1=\box47
\box@size@2=\box48
\@protection@box=\box49
\@topmark@saved=\toks16
\footins@saved=\box50
\footins@recovered=\box51
\column@recovered=\box52
\pagesofar=\box53
\footsofar=\box54
\pagegrid@col=\count172
Class revtex4-1 Warning: Failed to recognize \@vspace, \@vspacer, \@no@pgbk, \@
newline, and \\; no patches applied. Please get a more up-to-date class, .
\c@part=\count173
\c@section=\count174
\c@subsection=\count175
\c@subsubsection=\count176
\c@paragraph=\count177
\c@subparagraph=\count178
\abovecaptionskip=\skip48
\belowcaptionskip=\skip49
\c@figure=\count179
\fbox@1=\box55
\c@table=\count180
\fbox@2=\box56
\c@video=\count181
\fbox@4=\box57
\@bibdataout=\write3
\widetext@top=\box58
\widetext@bot=\box59
Class revtex4-1 Info: Selecting society aip on input line 7542.
(/Users/loos/Library/texmf/tex/latex/revtex4-2/tex/latex/revtex/aip4-1.rtx
File: aip4-1.rtx 2010/07/25 4.1r AIP substyle for REVTeX
Class revtex4-1 Info: RevTeX society AIP selected on input line 67.
)
Class revtex4-1 Info: Selecting journal jcp on input line 7544.
Using journal substyle jcp.
Class revtex4-1 Info: Reading file aps10pt4-1.rtx on input line 7547.
(/Users/loos/Library/texmf/tex/latex/revtex4-2/tex/latex/revtex/aps10pt4-1.rtx
File: aps10pt4-1 2010/07/25/20:33:00 4.1r (http://publish.aps.org/revtex4/ for
documentation)
Class revtex4-1 Info: RevTeX pointsize 10pt selected on input line 30.
)
Class revtex4-1 Info: Overriding 10pt on input line 7547.
(/usr/local/texlive/2020/texmf-dist/tex/latex/textcase/textcase.sty
Package: textcase 2019/09/14 v1.00 Text only upper/lower case changing (DPC)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/url/url.sty
\Urlmuskip=\muskip16
Package: url 2013/09/16 ver 3.4 Verb mode for urls, etc.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/natbib/natbib.sty
Package: natbib 2010/09/13 8.31b (PWD, AO)
\bibhang=\skip50
\bibsep=\skip51
LaTeX Info: Redefining \cite on input line 694.
\c@NAT@ctr=\count182
)
Class revtex4-1 Info: Repairing natbib's \BibitemShut on input line 7549.
(/Users/loos/Library/texmf/tex/latex/revtex4-2/tex/latex/revtex/revsymb4-1.sty
Package: revsymb4-1 2010/07/25/20:33:00 4.1r (http://publish.aps.org/revtex4/ f
or documentation)
LaTeX Info: Redefining \REV@mathfrak on input line 119.
)) (/usr/local/texlive/2020/texmf-dist/tex/latex/graphics/graphicx.sty
Package: graphicx 2019/11/30 v1.2a Enhanced LaTeX Graphics (DPC,SPQR)
(/usr/local/texlive/2020/texmf-dist/tex/latex/graphics/keyval.sty
Package: keyval 2014/10/28 v1.15 key=value parser (DPC)
\KV@toks@=\toks17
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/graphics/graphics.sty
Package: graphics 2019/11/30 v1.4a Standard LaTeX Graphics (DPC,SPQR)
(/usr/local/texlive/2020/texmf-dist/tex/latex/graphics/trig.sty
Package: trig 2016/01/03 v1.10 sin cos tan (DPC)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/graphics-cfg/graphics.cfg
File: graphics.cfg 2016/06/04 v1.11 sample graphics configuration
)
Package graphics Info: Driver file: pdftex.def on input line 105.
(/usr/local/texlive/2020/texmf-dist/tex/latex/graphics-def/pdftex.def
File: pdftex.def 2018/01/08 v1.0l Graphics/color driver for pdftex
))
\Gin@req@height=\dimen134
\Gin@req@width=\dimen135
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/dcolumn.sty
Package: dcolumn 2014/10/28 v1.06 decimal alignment package (DPC)
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/array.sty
Package: array 2019/08/31 v2.4l Tabular extension package (FMi)
\col@sep=\dimen136
\ar@mcellbox=\box60
\extrarowheight=\dimen137
\NC@list=\toks18
\extratabsurround=\skip52
\backup@length=\skip53
\ar@cellbox=\box61
))
(/usr/local/texlive/2020/texmf-dist/tex/latex/tools/bm.sty
Package: bm 2019/07/24 v1.2d Bold Symbol Support (DPC/FMi)
\symboldoperators=\mathgroup4
\symboldletters=\mathgroup5
\symboldsymbols=\mathgroup6
LaTeX Font Info: Redeclaring math alphabet \mathbf on input line 141.
LaTeX Info: Redefining \bm on input line 209.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/xcolor/xcolor.sty
Package: xcolor 2016/05/11 v2.12 LaTeX color extensions (UK)
(/usr/local/texlive/2020/texmf-dist/tex/latex/graphics-cfg/color.cfg
File: color.cfg 2016/01/02 v1.6 sample color configuration
)
Package xcolor Info: Driver file: pdftex.def on input line 225.
Package xcolor Info: Model `cmy' substituted by `cmy0' on input line 1348.
Package xcolor Info: Model `hsb' substituted by `rgb' on input line 1352.
Package xcolor Info: Model `RGB' extended on input line 1364.
Package xcolor Info: Model `HTML' substituted by `rgb' on input line 1366.
Package xcolor Info: Model `Hsb' substituted by `hsb' on input line 1367.
Package xcolor Info: Model `tHsb' substituted by `hsb' on input line 1368.
Package xcolor Info: Model `HSB' substituted by `hsb' on input line 1369.
Package xcolor Info: Model `Gray' substituted by `gray' on input line 1370.
Package xcolor Info: Model `wave' substituted by `hsb' on input line 1371.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/microtype.sty
Package: microtype 2019/11/18 v2.7d Micro-typographical refinements (RS)
\MT@toks=\toks19
\MT@count=\count183
LaTeX Info: Redefining \textls on input line 790.
\MT@outer@kern=\dimen138
LaTeX Info: Redefining \textmicrotypecontext on input line 1354.
\MT@listname@count=\count184
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/microtype-pdftex.def
File: microtype-pdftex.def 2019/11/18 v2.7d Definitions specific to pdftex (RS)
LaTeX Info: Redefining \lsstyle on input line 914.
LaTeX Info: Redefining \lslig on input line 914.
\MT@outer@space=\skip54
)
Package microtype Info: Loading configuration file microtype.cfg.
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/microtype.cfg
File: microtype.cfg 2019/11/18 v2.7d microtype main configuration file (RS)
))
(/usr/local/texlive/2020/texmf-dist/tex/latex/multirow/multirow.sty
Package: multirow 2019/05/31 v2.5 Span multiple rows of a table
\multirow@colwidth=\skip55
\multirow@cntb=\count185
\multirow@dima=\skip56
\bigstrutjot=\dimen139
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amscd.sty
Package: amscd 2017/04/14 v2.1 AMS Commutative Diagrams
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsgen.sty
File: amsgen.sty 1999/11/30 v2.0 generic functions
\@emptytoks=\toks20
\ex@=\dimen140
)
\athelp@=\toks21
\minaw@=\dimen141
\bigaw@=\dimen142
\minCDarrowwidth=\dimen143
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsmath.sty
Package: amsmath 2020/01/20 v2.17e AMS math features
\@mathmargin=\skip57
For additional information on amsmath, use the `?' option.
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amstext.sty
Package: amstext 2000/06/29 v2.01 AMS text
LaTeX Info: Redefining \text on input line 28.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsbsy.sty
Package: amsbsy 1999/11/29 v1.2d Bold Symbols
LaTeX Info: Redefining \boldsymbol on input line 28.
\pmbraise@=\dimen144
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsmath/amsopn.sty
Package: amsopn 2016/03/08 v2.02 operator names
)
\inf@bad=\count186
LaTeX Info: Redefining \frac on input line 227.
\uproot@=\count187
\leftroot@=\count188
LaTeX Info: Redefining \overline on input line 389.
\classnum@=\count189
\DOTSCASE@=\count190
LaTeX Info: Redefining \ldots on input line 486.
LaTeX Info: Redefining \dots on input line 489.
LaTeX Info: Redefining \cdots on input line 610.
\Mathstrutbox@=\box62
\strutbox@=\box63
\big@size=\dimen145
LaTeX Font Info: Redeclaring font encoding OML on input line 733.
LaTeX Font Info: Redeclaring font encoding OMS on input line 734.
\macc@depth=\count191
\c@MaxMatrixCols=\count192
\dotsspace@=\muskip17
\c@parentequation=\count193
\dspbrk@lvl=\count194
\tag@help=\toks22
\row@=\count195
\column@=\count196
\maxfields@=\count197
\andhelp@=\toks23
\eqnshift@=\dimen146
\alignsep@=\dimen147
\tagshift@=\dimen148
\tagwidth@=\dimen149
\totwidth@=\dimen150
\lineht@=\dimen151
\@envbody=\toks24
\multlinegap=\skip58
\multlinetaggap=\skip59
\mathdisplay@stack=\toks25
LaTeX Info: Redefining \[ on input line 2859.
LaTeX Info: Redefining \] on input line 2860.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsfonts/amssymb.sty
Package: amssymb 2013/01/14 v3.01 AMS font symbols
(/usr/local/texlive/2020/texmf-dist/tex/latex/amsfonts/amsfonts.sty
Package: amsfonts 2013/01/14 v3.01 Basic AMSFonts support
\symAMSa=\mathgroup7
\symAMSb=\mathgroup8
LaTeX Font Info: Redeclaring math symbol \hbar on input line 98.
LaTeX Font Info: Overwriting math alphabet `\mathfrak' in version `bold'
(Font) U/euf/m/n --> U/euf/b/n on input line 106.
LaTeX Info: Redefining \frak on input line 111.
LaTeX Info: Redefining \Bbb on input line 113.
))
(/usr/local/texlive/2020/texmf-dist/tex/latex/physics/physics.sty
Package: physics
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3packages/xparse/xparse.sty
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3kernel/expl3.sty
Package: expl3 2020-06-03 L3 programming layer (loader)
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3backend/l3backend-pdfmode.def
File: l3backend-pdfmode.def 2020-06-03 L3 backend support: PDF mode
\l__kernel_color_stack_int=\count198
\l__pdf_internal_box=\box64
))
Package: xparse 2020-05-15 L3 Experimental document command parser
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3packages/xparse/xparse-generic.
tex
\l__xparse_current_arg_int=\count199
\g__xparse_grabber_int=\count266
\l__xparse_m_args_int=\count267
\l__xparse_v_nesting_int=\count268
))) (/usr/local/texlive/2020/texmf-dist/tex/latex/tools/longtable.sty
Package: longtable 2020/01/07 v4.13 Multi-page Table package (DPC)
\LTleft=\skip60
\LTright=\skip61
\LTpre=\skip62
\LTpost=\skip63
\LTchunksize=\count269
\LTcapwidth=\dimen152
\LT@head=\box65
\LT@firsthead=\box66
\LT@foot=\box67
\LT@lastfoot=\box68
\LT@cols=\count270
\LT@rows=\count271
\c@LT@tables=\count272
\c@LT@chunks=\count273
\LT@p@ftn=\toks26
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/wrapfig/wrapfig.sty
\wrapoverhang=\dimen153
\WF@size=\dimen154
\c@WF@wrappedlines=\count274
\WF@box=\box69
\WF@everypar=\toks27
Package: wrapfig 2003/01/31 v 3.6
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/txfonts.sty
Package: txfonts 2008/01/22 v3.2.1
LaTeX Font Info: Redeclaring symbol font `operators' on input line 21.
LaTeX Font Info: Overwriting symbol font `operators' in version `normal'
(Font) OT1/cmr/m/n --> OT1/txr/m/n on input line 21.
LaTeX Font Info: Overwriting symbol font `operators' in version `bold'
(Font) OT1/cmr/bx/n --> OT1/txr/m/n on input line 21.
LaTeX Font Info: Overwriting symbol font `operators' in version `bold'
(Font) OT1/txr/m/n --> OT1/txr/bx/n on input line 22.
\symitalic=\mathgroup9
LaTeX Font Info: Overwriting symbol font `italic' in version `bold'
(Font) OT1/txr/m/it --> OT1/txr/bx/it on input line 26.
LaTeX Font Info: Redeclaring math alphabet \mathbf on input line 29.
LaTeX Font Info: Redeclaring math alphabet \mathit on input line 30.
LaTeX Font Info: Overwriting math alphabet `\mathit' in version `normal'
(Font) OT1/cmr/m/it --> OT1/txr/m/it on input line 30.
LaTeX Font Info: Overwriting math alphabet `\mathit' in version `bold'
(Font) OT1/cmr/bx/it --> OT1/txr/m/it on input line 30.
LaTeX Font Info: Overwriting math alphabet `\mathit' in version `bold'
(Font) OT1/txr/m/it --> OT1/txr/bx/it on input line 31.
LaTeX Font Info: Redeclaring math alphabet \mathsf on input line 40.
LaTeX Font Info: Overwriting math alphabet `\mathsf' in version `normal'
(Font) OT1/cmss/m/n --> OT1/txss/m/n on input line 40.
LaTeX Font Info: Overwriting math alphabet `\mathsf' in version `bold'
(Font) OT1/cmss/bx/n --> OT1/txss/m/n on input line 40.
LaTeX Font Info: Overwriting math alphabet `\mathsf' in version `bold'
(Font) OT1/txss/m/n --> OT1/txss/b/n on input line 41.
LaTeX Font Info: Redeclaring math alphabet \mathtt on input line 50.
LaTeX Font Info: Overwriting math alphabet `\mathtt' in version `normal'
(Font) OT1/cmtt/m/n --> OT1/txtt/m/n on input line 50.
LaTeX Font Info: Overwriting math alphabet `\mathtt' in version `bold'
(Font) OT1/cmtt/m/n --> OT1/txtt/m/n on input line 50.
LaTeX Font Info: Overwriting math alphabet `\mathtt' in version `bold'
(Font) OT1/txtt/m/n --> OT1/txtt/b/n on input line 51.
LaTeX Font Info: Redeclaring symbol font `letters' on input line 58.
LaTeX Font Info: Overwriting symbol font `letters' in version `normal'
(Font) OML/cmm/m/it --> OML/txmi/m/it on input line 58.
LaTeX Font Info: Overwriting symbol font `letters' in version `bold'
(Font) OML/cmm/b/it --> OML/txmi/m/it on input line 58.
LaTeX Font Info: Overwriting symbol font `letters' in version `bold'
(Font) OML/txmi/m/it --> OML/txmi/bx/it on input line 59.
\symlettersA=\mathgroup10
LaTeX Font Info: Overwriting symbol font `lettersA' in version `bold'
(Font) U/txmia/m/it --> U/txmia/bx/it on input line 67.
LaTeX Font Info: Redeclaring math alphabet \mathfrak on input line 70.
LaTeX Font Info: Redeclaring symbol font `symbols' on input line 77.
LaTeX Font Info: Overwriting symbol font `symbols' in version `normal'
(Font) OMS/cmsy/m/n --> OMS/txsy/m/n on input line 77.
LaTeX Font Info: Overwriting symbol font `symbols' in version `bold'
(Font) OMS/cmsy/b/n --> OMS/txsy/m/n on input line 77.
LaTeX Font Info: Overwriting symbol font `symbols' in version `bold'
(Font) OMS/txsy/m/n --> OMS/txsy/bx/n on input line 78.
LaTeX Font Info: Redeclaring symbol font `AMSa' on input line 93.
LaTeX Font Info: Overwriting symbol font `AMSa' in version `normal'
(Font) U/msa/m/n --> U/txsya/m/n on input line 93.
LaTeX Font Info: Overwriting symbol font `AMSa' in version `bold'
(Font) U/msa/m/n --> U/txsya/m/n on input line 93.
LaTeX Font Info: Overwriting symbol font `AMSa' in version `bold'
(Font) U/txsya/m/n --> U/txsya/bx/n on input line 94.
LaTeX Font Info: Redeclaring symbol font `AMSb' on input line 102.
LaTeX Font Info: Overwriting symbol font `AMSb' in version `normal'
(Font) U/msb/m/n --> U/txsyb/m/n on input line 102.
LaTeX Font Info: Overwriting symbol font `AMSb' in version `bold'
(Font) U/msb/m/n --> U/txsyb/m/n on input line 102.
LaTeX Font Info: Overwriting symbol font `AMSb' in version `bold'
(Font) U/txsyb/m/n --> U/txsyb/bx/n on input line 103.
\symsymbolsC=\mathgroup11
LaTeX Font Info: Overwriting symbol font `symbolsC' in version `bold'
(Font) U/txsyc/m/n --> U/txsyc/bx/n on input line 113.
LaTeX Font Info: Redeclaring symbol font `largesymbols' on input line 120.
LaTeX Font Info: Overwriting symbol font `largesymbols' in version `normal'
(Font) OMX/cmex/m/n --> OMX/txex/m/n on input line 120.
LaTeX Font Info: Overwriting symbol font `largesymbols' in version `bold'
(Font) OMX/cmex/m/n --> OMX/txex/m/n on input line 120.
LaTeX Font Info: Overwriting symbol font `largesymbols' in version `bold'
(Font) OMX/txex/m/n --> OMX/txex/bx/n on input line 121.
\symlargesymbolsA=\mathgroup12
LaTeX Font Info: Overwriting symbol font `largesymbolsA' in version `bold'
(Font) U/txexa/m/n --> U/txexa/bx/n on input line 129.
LaTeX Font Info: Redeclaring math symbol \mathsterling on input line 164.
LaTeX Info: Redefining \not on input line 1043.
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/mhchem/mhchem.sty
Package: mhchem 2018/06/22 v4.08 for typesetting chemical formulae
(/usr/local/texlive/2020/texmf-dist/tex/latex/l3packages/l3keys2e/l3keys2e.sty
Package: l3keys2e 2020-05-15 LaTeX2e option processing using LaTeX3 keys
) (/usr/local/texlive/2020/texmf-dist/tex/latex/tools/calc.sty
Package: calc 2017/05/25 v4.3 Infix arithmetic (KKT,FJ)
\calc@Acount=\count275
\calc@Bcount=\count276
\calc@Adimen=\dimen155
\calc@Bdimen=\dimen156
\calc@Askip=\skip64
\calc@Bskip=\skip65
LaTeX Info: Redefining \setlength on input line 80.
LaTeX Info: Redefining \addtolength on input line 81.
\calc@Ccount=\count277
\calc@Cskip=\skip66
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/chemgreek/chemgreek.sty
Package: chemgreek 2020/01/16 v1.1a interface for upright Greek letters for use
in chemistry (CN)
\l__chemgreek_tmpa_int=\count278
\g__chemgreek_tmpa_int=\count279
)
\l__mhchem_ce_distanceFromLastComma_int=\count280
\__mhchem_arrow_extPgfLength_skip=\skip67
\mhchem@minispace@tmp=\skip68
\mhchem@minibackspace@tmp=\skip69
\mhchem@bondwidth=\skip70
\mhchem@bondheight=\skip71
\mhchem@smallbondwidth@tmpA=\skip72
\mhchem@smallbondwidth@tmpB=\skip73
\mhchem@smallbondwidth=\skip74
\mhchem@bondtmp@minussidebearingleft=\skip75
\mhchem@bondtmp@minussidebearingright=\skip76
\l__mhchem_option_version_int=\count281
\mhchem@option@minusmathsidebearingleft=\dimen157
\mhchem@option@minusmathsidebearingright=\dimen158
\mhchem@option@minustextsidebearingleft=\dimen159
\mhchem@option@minustextsidebearingright=\dimen160
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/base/inputenc.sty
Package: inputenc 2018/08/11 v1.3c Input encoding file
\inpenc@prehook=\toks28
\inpenc@posthook=\toks29
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/base/fontenc.sty
Package: fontenc 2020/02/11 v2.0o Standard LaTeX package
LaTeX Font Info: Trying to load font information for T1+txr on input line 11
2.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/t1txr.fd
File: t1txr.fd 2000/12/15 v3.1
))
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/hyperref.sty
Package: hyperref 2020-05-15 v7.00e Hypertext links for LaTeX
(/usr/local/texlive/2020/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty
Package: ltxcmds 2019/12/15 v1.24 LaTeX kernel commands for general use (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/iftex/iftex.sty
Package: iftex 2020/03/06 v1.0d TeX engine tests
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/pdftexcmds/pdftexcmds.sty
Package: pdftexcmds 2020-06-04 v0.32 Utility functions of pdfTeX for LuaTeX (HO
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/infwarerr/infwarerr.sty
Package: infwarerr 2019/12/03 v1.5 Providing info/warning/error messages (HO)
)
Package pdftexcmds Info: \pdf@primitive is available.
Package pdftexcmds Info: \pdf@ifprimitive is available.
Package pdftexcmds Info: \pdfdraftmode found.
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/kvsetkeys/kvsetkeys.sty
Package: kvsetkeys 2019/12/15 v1.18 Key value parser (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty
Package: kvdefinekeys 2019-12-19 v1.6 Define keys (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/pdfescape/pdfescape.sty
Package: pdfescape 2019/12/09 v1.15 Implements pdfTeX's escape features (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/hycolor/hycolor.sty
Package: hycolor 2020-01-27 v1.10 Color options for hyperref/bookmark (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty
Package: letltxmacro 2019/12/03 v1.6 Let assignment for LaTeX macros (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/auxhook/auxhook.sty
Package: auxhook 2019-12-17 v1.6 Hooks for auxiliary files (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/kvoptions/kvoptions.sty
Package: kvoptions 2019/11/29 v3.13 Key value format for package options (HO)
)
\@linkdim=\dimen161
\Hy@linkcounter=\count282
\Hy@pagecounter=\count283
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/pd1enc.def
File: pd1enc.def 2020-05-15 v7.00e Hyperref: PDFDocEncoding definition (HO)
Now handling font encoding PD1 ...
... no UTF-8 mapping file for font encoding PD1
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/intcalc/intcalc.sty
Package: intcalc 2019/12/15 v1.3 Expandable calculations with integers (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/etexcmds/etexcmds.sty
Package: etexcmds 2019/12/15 v1.7 Avoid name clashes with e-TeX commands (HO)
)
\Hy@SavedSpaceFactor=\count284
Package hyperref Info: Option `colorlinks' set `true' on input line 4338.
Package hyperref Info: Option `breaklinks' set `true' on input line 4338.
Package hyperref Info: Hyper figures OFF on input line 4464.
Package hyperref Info: Link nesting OFF on input line 4469.
Package hyperref Info: Hyper index ON on input line 4472.
Package hyperref Info: Plain pages OFF on input line 4479.
Package hyperref Info: Backreferencing OFF on input line 4484.
Package hyperref Info: Implicit mode ON; LaTeX internals redefined.
Package hyperref Info: Bookmarks ON on input line 4717.
LaTeX Info: Redefining \href on input line 4987.
\c@Hy@tempcnt=\count285
LaTeX Info: Redefining \url on input line 5076.
\XeTeXLinkMargin=\dimen162
(/usr/local/texlive/2020/texmf-dist/tex/generic/bitset/bitset.sty
Package: bitset 2019/12/09 v1.3 Handle bit-vector datatype (HO)
(/usr/local/texlive/2020/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty
Package: bigintcalc 2019/12/15 v1.5 Expandable calculations on big integers (HO
)
))
\Fld@menulength=\count286
\Field@Width=\dimen163
\Fld@charsize=\dimen164
Package hyperref Info: Hyper figures OFF on input line 6347.
Package hyperref Info: Link nesting OFF on input line 6352.
Package hyperref Info: Hyper index ON on input line 6355.
Package hyperref Info: backreferencing OFF on input line 6362.
Package hyperref Info: Link coloring ON on input line 6365.
Package hyperref Info: Link coloring with OCG OFF on input line 6372.
Package hyperref Info: PDF/A mode OFF on input line 6377.
LaTeX Info: Redefining \ref on input line 6417.
LaTeX Info: Redefining \pageref on input line 6421.
(/usr/local/texlive/2020/texmf-dist/tex/generic/atbegshi/atbegshi.sty
Package: atbegshi 2019/12/05 v1.19 At begin shipout hook (HO)
)
\Hy@abspage=\count287
\c@Item=\count288
\c@Hfootnote=\count289
)
Package hyperref Info: Driver (autodetected): hpdftex.
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/hpdftex.def
File: hpdftex.def 2020-05-15 v7.00e Hyperref driver for pdfTeX
(/usr/local/texlive/2020/texmf-dist/tex/latex/atveryend/atveryend.sty
Package: atveryend 2019-12-11 v1.11 Hooks at the very end of document (HO)
)
\Fld@listcount=\count290
\c@bookmark@seq@number=\count291
(/usr/local/texlive/2020/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty
Package: rerunfilecheck 2019/12/05 v1.9 Rerun checks for auxiliary files (HO)
(/usr/local/texlive/2020/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty
Package: uniquecounter 2019/12/15 v1.4 Provide unlimited unique counter (HO)
)
Package uniquecounter Info: New unique counter `rerunfilecheck' on input line 2
86.
)
\Hy@SectionHShift=\skip77
) (/usr/local/texlive/2020/texmf-dist/tex/generic/ulem/ulem.sty
\UL@box=\box70
\UL@hyphenbox=\box71
\UL@skip=\skip78
\UL@hook=\toks30
\UL@height=\dimen165
\UL@pe=\count292
\UL@pixel=\dimen166
\ULC@box=\box72
Package: ulem 2019/11/18
\ULdepth=\dimen167
)
Class revtex4-1 Info: Unrecognized array package. Please update this document c
lass! (Proceeding with fingers crossed.) on input line 189.
Class revtex4-1 Info: Patching unrecognized longtable package. (Proceeding with
fingers crossed) on input line 189.
Class revtex4-1 Info: cite was not loaded (OK!) on input line 189.
Class revtex4-1 Info: mcite was not loaded (OK!) on input line 189.
Class revtex4-1 Info: multicol was not loaded (OK!) on input line 189.
(./CBD.aux
LaTeX Warning: Label `sec:res' multiply defined.
)
\openout1 = `CBD.aux'.
LaTeX Font Info: Checking defaults for OML/txmi/m/it on input line 189.
LaTeX Font Info: Trying to load font information for OML+txmi on input line
189.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/omltxmi.fd
File: omltxmi.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 189.
LaTeX Font Info: Checking defaults for OMS/txsy/m/n on input line 189.
LaTeX Font Info: Trying to load font information for OMS+txsy on input line
189.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/omstxsy.fd
File: omstxsy.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 189.
LaTeX Font Info: Checking defaults for OT1/cmr/m/n on input line 189.
LaTeX Font Info: ... okay on input line 189.
LaTeX Font Info: Checking defaults for T1/cmr/m/n on input line 189.
LaTeX Font Info: ... okay on input line 189.
LaTeX Font Info: Checking defaults for TS1/cmr/m/n on input line 189.
LaTeX Font Info: ... okay on input line 189.
LaTeX Font Info: Checking defaults for OMX/txex/m/n on input line 189.
LaTeX Font Info: Trying to load font information for OMX+txex on input line
189.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/omxtxex.fd
File: omxtxex.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 189.
LaTeX Font Info: Checking defaults for U/txexa/m/n on input line 189.
LaTeX Font Info: Trying to load font information for U+txexa on input line 1
89.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxexa.fd
File: utxexa.fd 2000/12/15 v3.1
)
LaTeX Font Info: ... okay on input line 189.
LaTeX Font Info: Checking defaults for PD1/pdf/m/n on input line 189.
LaTeX Font Info: ... okay on input line 189.
(/usr/local/texlive/2020/texmf-dist/tex/context/base/mkii/supp-pdf.mkii
[Loading MPS to PDF converter (version 2006.09.02).]
\scratchcounter=\count293
\scratchdimen=\dimen168
\scratchbox=\box73
\nofMPsegments=\count294
\nofMParguments=\count295
\everyMPshowfont=\toks31
\MPscratchCnt=\count296
\MPscratchDim=\dimen169
\MPnumerator=\count297
\makeMPintoPDFobject=\count298
\everyMPtoPDFconversion=\toks32
) (/usr/local/texlive/2020/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty
Package: epstopdf-base 2020-01-24 v2.11 Base part for package epstopdf
(/usr/local/texlive/2020/texmf-dist/tex/latex/grfext/grfext.sty
Package: grfext 2019/12/03 v1.3 Manage graphics extensions (HO)
)
Package epstopdf-base Info: Redefining graphics rule for `.eps' on input line 4
85.
Package grfext Info: Graphics extension search list:
(grfext) [.pdf,.png,.jpg,.mps,.jpeg,.jbig2,.jb2,.PDF,.PNG,.JPG,.JPE
G,.JBIG2,.JB2,.eps]
(grfext) \AppendGraphicsExtensions on input line 504.
(/usr/local/texlive/2020/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg
File: epstopdf-sys.cfg 2010/07/13 v1.3 Configuration of (r)epstopdf for TeX Liv
e
))
LaTeX Info: Redefining \microtypecontext on input line 189.
Package microtype Info: Generating PDF output.
Package microtype Info: Character protrusion enabled (level 2).
Package microtype Info: Using default protrusion set `alltext'.
Package microtype Info: Automatic font expansion enabled (level 2),
(microtype) stretch: 20, shrink: 20, step: 1, non-selected.
Package microtype Info: Using default expansion set `basictext'.
LaTeX Info: Redefining \showhyphens on input line 189.
Package microtype Info: No adjustment of tracking.
Package microtype Info: No adjustment of interword spacing.
Package microtype Info: No adjustment of character kerning.
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/mt-ptm.cfg
File: mt-ptm.cfg 2006/04/20 v1.7 microtype config. file: Times (RS)
)
Package chemgreek Info: Activating mapping `default' on line 189.
\AtBeginShipoutBox=\box74
Package hyperref Info: Link coloring ON on input line 189.
(/usr/local/texlive/2020/texmf-dist/tex/latex/hyperref/nameref.sty
Package: nameref 2019/09/16 v2.46 Cross-referencing by name of section
(/usr/local/texlive/2020/texmf-dist/tex/latex/refcount/refcount.sty
Package: refcount 2019/12/15 v3.6 Data extraction from label references (HO)
)
(/usr/local/texlive/2020/texmf-dist/tex/generic/gettitlestring/gettitlestring.s
ty
Package: gettitlestring 2019/12/15 v1.6 Cleanup title references (HO)
)
\c@section@level=\count299
)
LaTeX Info: Redefining \ref on input line 189.
LaTeX Info: Redefining \pageref on input line 189.
LaTeX Info: Redefining \nameref on input line 189.
(./CBD.out) (./CBD.out)
\@outlinefile=\write4
\openout4 = `CBD.out'.
Class revtex4-1 Info: Taking \maketitle back from hyperref on input line 189.
\openout3 = `CBDNotes.bib'.
LaTeX Font Info: Trying to load font information for T1+txss on input line 2
13.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/t1txss.fd
File: t1txss.fd 2000/12/15 v3.1
)
LaTeX Font Info: Font shape `T1/txss/m/n' will be
(Font) scaled to size 13.67995pt on input line 213.
Package microtype Info: Loading generic protrusion settings for font family
(microtype) `txss' (encoding: T1).
(microtype) For optimal results, create family-specific settings.
(microtype) See the microtype manual for details.
LaTeX Font Info: Font shape `T1/txss/b/n' in size <14.4> not available
(Font) Font shape `T1/txss/bx/n' tried instead on input line 213.
LaTeX Font Info: Font shape `T1/txss/bx/n' will be
(Font) scaled to size 13.67995pt on input line 213.
LaTeX Font Info: Font shape `T1/txss/m/n' will be
(Font) scaled to size 9.49997pt on input line 213.
LaTeX Font Info: Trying to load font information for OT1+txr on input line 2
13.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/ot1txr.fd
File: ot1txr.fd 2000/12/15 v3.1
)
(/usr/local/texlive/2020/texmf-dist/tex/latex/microtype/mt-cmr.cfg
File: mt-cmr.cfg 2013/05/19 v2.2 microtype config. file: Computer Modern Roman
(RS)
)
LaTeX Font Info: Trying to load font information for U+txsya on input line 2
13.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxsya.fd
File: utxsya.fd 2000/12/15 v3.1
)
LaTeX Font Info: Trying to load font information for U+txsyb on input line 2
13.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxsyb.fd
File: utxsyb.fd 2000/12/15 v3.1
)
LaTeX Font Info: Trying to load font information for U+txmia on input line 2
13.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxmia.fd
File: utxmia.fd 2000/12/15 v3.1
)
LaTeX Font Info: Trying to load font information for U+txsyc on input line 2
13.
(/usr/local/texlive/2020/texmf-dist/tex/latex/txfonts/utxsyc.fd
File: utxsyc.fd 2000/12/15 v3.1
)
LaTeX Font Info: Font shape `T1/txss/m/n' will be
(Font) scaled to size 6.64998pt on input line 213.
LaTeX Font Info: Font shape `T1/txss/m/n' will be
(Font) scaled to size 8.54997pt on input line 216.
LaTeX Font Info: Font shape `T1/txss/b/n' in size <9> not available
(Font) Font shape `T1/txss/bx/n' tried instead on input line 216.
LaTeX Font Info: Font shape `T1/txss/bx/n' will be
(Font) scaled to size 8.54997pt on input line 216.
<figure2.png, id=64, 305.14pt x 406.51875pt>
File: figure2.png Graphic file (type png)
<use figure2.png>
Package pdftex.def Info: figure2.png used on input line 223.
(pdftex.def) Requested size: 147.6015pt x 196.6465pt.
(./CBD.bbl
Underfull \hbox (badness 10000) in paragraph at lines 44--51
[]\T1/txr/m/n/8 (+20) Baeyer, A. Ue-ber Poly-acetylen-verbindun-gen.
[]
Underfull \hbox (badness 10000) in paragraph at lines 44--51
\T1/txr/m/it/8 (+20) 18\T1/txr/m/n/8 (+20) , 2269--2281, _eprint: https://chem
istry-
[]
[1{/usr/local/texlive/2020/texmf-var/fonts/map/pdftex/updmap/pdftex.map} <./fig
ure2.png>]
Underfull \hbox (badness 4229) in paragraph at lines 60--68
[]\T1/txr/m/n/8 (+20) Irngartinger, H.; Nix-dorf, M. Bond-ing Elec-tron Den-si
ty Dis-tri-bu-
[]
Underfull \hbox (badness 5681) in paragraph at lines 60--68
\T1/txr/m/n/8 (+20) tion in Tetra-tert-butylcyclobutadiene^^V A Molecule with
an Ob-
[]
Underfull \hbox (badness 8113) in paragraph at lines 60--68
\T1/txr/m/n/8 (+20) vi-ously Non-Square Four-Membered ring. \T1/txr/m/it/8 (+2
0) 22\T1/txr/m/n/8 (+20) , 403--404, _eprint:
[]
)
Class revtex4-1 Warning: Environment acknowledgements is obsolete;
Use acknowledgments instead.
[2]
Package atveryend Info: Empty hook `AfterLastShipout' on input line 284.
(./CBD.aux)
Package atveryend Info: Executing hook `AtVeryEndDocument' on input line 284.
Package atveryend Info: Executing hook `AtEndAfterFileList' on input line 284.
Package rerunfilecheck Info: File `CBD.out' has not changed.
(rerunfilecheck) Checksum: 9DA1CAB508FBF0971A1AC521A37FD793;791.
LaTeX Warning: There were multiply-defined labels.
)
Here is how much of TeX's memory you used:
13915 strings out of 480478
211996 string characters out of 5899595
539781 words of memory out of 5000000
29455 multiletter control sequences out of 15000+600000
605538 words of font info for 243 fonts, out of 8000000 for 9000
1141 hyphenation exceptions out of 8191
44i,6n,42p,2052b,511s stack positions out of 5000i,500n,10000p,200000b,80000s
{/usr/local/texlive/2020/texmf-dist/fonts/enc/dvips/base/8r.enc}</usr/local/t
exlive/2020/texmf-dist/fonts/type1/public/txfonts/rtxr.pfb></usr/local/texlive/
2020/texmf-dist/fonts/type1/urw/helvetic/uhvb8a.pfb></usr/local/texlive/2020/te
xmf-dist/fonts/type1/urw/helvetic/uhvr8a.pfb></usr/local/texlive/2020/texmf-dis
t/fonts/type1/urw/times/utmr8a.pfb></usr/local/texlive/2020/texmf-dist/fonts/ty
pe1/urw/times/utmri8a.pfb>
Output written on CBD.pdf (2 pages, 89445 bytes).
PDF statistics:
118 PDF objects out of 1000 (max. 8388607)
104 compressed objects within 2 object streams
24 named destinations out of 1000 (max. 500000)
61038 words of extra memory for PDF output out of 61914 (max. 10000000)

View File

@ -1,13 +0,0 @@
\BOOKMARK [0][-]{section*.2}{Reference energies for cyclobutadiene}{}% 2
\BOOKMARK [1][-]{section*.1}{Abstract}{section*.2}% 1
\BOOKMARK [1][-]{section*.3}{Introduction}{section*.2}% 3
\BOOKMARK [1][-]{section*.4}{Computational methods}{section*.2}% 4
\BOOKMARK [2][-]{section*.5}{CIPSI}{section*.4}% 5
\BOOKMARK [2][-]{section*.6}{Coupled-Cluster}{section*.4}% 6
\BOOKMARK [2][-]{section*.7}{CASPT2/NEVPT2}{section*.4}% 7
\BOOKMARK [2][-]{section*.8}{Spin-Flip}{section*.4}% 8
\BOOKMARK [1][-]{section*.9}{Results and discussion}{section*.2}% 9
\BOOKMARK [2][-]{section*.10}{Excited States}{section*.9}% 10
\BOOKMARK [2][-]{section*.11}{Automerization}{section*.9}% 11
\BOOKMARK [1][-]{section*.12}{Conclusion}{section*.2}% 12
\BOOKMARK [1][-]{section*.13}{Acknowledgments}{section*.2}% 13

Binary file not shown.

Binary file not shown.