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2	-rw-r--r--···0········0········0·····3664·2015-09-12·12:17:43.000000·control.tar.xz	2	-rw-r--r--···0········0········0·····3664·2015-09-12·12:17:43.000000·control.tar.xz
3	-rw-r--r--···0········0········0··9246348·2015-09-12·12:17:43.000000·data.tar.xz	3	-rw-r--r--···0········0········0··9246360·2015-09-12·12:17:43.000000·data.tar.xz


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73	-rw-r--r--···0·root·········(0)·root·········(0)······189·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-opt.dat	73	-rw-r--r--···0·root·········(0)·root·········(0)······189·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-opt.dat
74	-rw-r--r--···0·root·········(0)·root·········(0)·····1204·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-polar.dat	74	-rw-r--r--···0·root·········(0)·root·········(0)·····1204·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/examples/scf-polar.dat
75	-rw-r--r--···0·root·········(0)·root·········(0)····32912·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libdpd.html	75	-rw-r--r--···0·root·········(0)·root·········(0)····32912·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libdpd.html
76	-rw-r--r--···0·root·········(0)·root·········(0)····11536·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libpsio.html	76	-rw-r--r--···0·root·········(0)·root·········(0)····11536·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/libpsio.html
77	-rw-r--r--···0·root·········(0)·root·········(0)······386·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/psirc.example	77	-rw-r--r--···0·root·········(0)·root·········(0)······386·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/psirc.example
78	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/	78	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/
79	-rw-r--r--···0·root·········(0)·root·········(0)·····2193·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/libiwl.txt.gz	79	-rw-r--r--···0·root·········(0)·root·········(0)·····2193·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/txt/libiwl.txt.gz
80	-rw-r--r--···0·root·········(0)·root·········(0)···253306·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/userman.ps.gz	80	-rw-r--r--···0·root·········(0)·root·········(0)···253301·2015-09-12·12:17:43.000000·./usr/share/doc/psi3/userman.ps.gz
81	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc-base/	81	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/doc-base/
82	-rw-r--r--···0·root·········(0)·root·········(0)······285·2015-08-25·15:35:32.000000·./usr/share/doc-base/psi3	82	-rw-r--r--···0·root·········(0)·root·········(0)······285·2015-08-25·15:35:32.000000·./usr/share/doc-base/psi3
83	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/	83	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/
84	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/man1/	84	drwxr-xr-x···0·root·········(0)·root·········(0)········0·2015-09-12·12:17:43.000000·./usr/share/man/man1/
85	-rw-r--r--···0·root·········(0)·root·········(0)·····3311·2015-09-12·12:17:43.000000·./usr/share/man/man1/ccenergy.1.gz	85	-rw-r--r--···0·root·········(0)·root·········(0)·····3311·2015-09-12·12:17:43.000000·./usr/share/man/man1/ccenergy.1.gz
86	-rw-r--r--···0·root·········(0)·root·········(0)·····1138·2015-09-12·12:17:43.000000·./usr/share/man/man1/cceom.1.gz	86	-rw-r--r--···0·root·········(0)·root·········(0)·····1138·2015-09-12·12:17:43.000000·./usr/share/man/man1/cceom.1.gz
87	-rw-r--r--···0·root·········(0)·root·········(0)·····4612·2015-09-12·12:17:43.000000·./usr/share/man/man1/cints.1.gz	87	-rw-r--r--···0·root·········(0)·root·········(0)·····4612·2015-09-12·12:17:43.000000·./usr/share/man/man1/cints.1.gz


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11	%%EndComments	11	%%EndComments
12	%%BeginDefaults	12	%%BeginDefaults
13	%%ViewingOrientation:·1·0·0·1	13	%%ViewingOrientation:·1·0·0·1
14	%%EndDefaults	14	%%EndDefaults
15	%DVIPSWebPage:·(www.radicaleye.com)	15	%DVIPSWebPage:·(www.radicaleye.com)
16	%DVIPSCommandLine:·dvips·-o·userman.ps·userman.dvi	16	%DVIPSCommandLine:·dvips·-o·userman.ps·userman.dvi
17	%DVIPSParameters:·dpi=600	17	%DVIPSParameters:·dpi=600
18	%DVIPSSource:··TeX·output·2024.01.11:~~0736~~	18	%DVIPSSource:··TeX·output·2025.02.12:1402
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22	N}B/A{dup}B/TR{translate}N/isls·false·N/vsize·11·72·mul·N/hsize·8.5·72	22	N}B/A{dup}B/TR{translate}N/isls·false·N/vsize·11·72·mul·N/hsize·8.5·72
23	mul·N/landplus90{false}def/@rigin{isls{[0·landplus90{1·-1}{-1·1}ifelse·0	23	mul·N/landplus90{false}def/@rigin{isls{[0·landplus90{1·-1}{-1·1}ifelse·0
24	0·0]concat}if·72·Resolution·div·72·VResolution·div·neg·scale·isls{	24	0·0]concat}if·72·Resolution·div·72·VResolution·div·neg·scale·isls{
25	landplus90{VResolution·72·div·vsize·mul·0·exch}{Resolution·-72·div·hsize	25	landplus90{VResolution·72·div·vsize·mul·0·exch}{Resolution·-72·div·hsize
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6280	2322·y(Ge)g(or)g(gia)34·b(Institute)h(of)g(T)-7·b(e)i(chnolo)g(gy,)33	6280	2322·y(Ge)g(or)g(gia)34·b(Institute)h(of)g(T)-7·b(e)i(chnolo)g(gy,)33
6281	b(A)n(tlanta,)i(Ge)-5·b(or)g(gia)34·b(30332-0400)317	6281	b(A)n(tlanta,)i(Ge)-5·b(or)g(gia)34·b(30332-0400)317
6282	2466·y·Fp(b)351·2502·y·Fo(Dep)-5·b(artment)34·b(of)h(Chemistry,)f(Vir)	6282	2466·y·Fp(b)351·2502·y·Fo(Dep)-5·b(artment)34·b(of)h(Chemistry,)f(Vir)
6283	-5·b(ginia)35·b(T)-7·b(e)i(ch,)33·b(Blacksbur)-5·b(g,)34	6283	-5·b(ginia)35·b(T)-7·b(e)i(ch,)33·b(Blacksbur)-5·b(g,)34
6284	b(Vir)-5·b(ginia)34·b(24061-0001)309·2647·y·Fp(c)344	6284	b(Vir)-5·b(ginia)34·b(24061-0001)309·2647·y·Fp(c)344
6285	2683·y·Fo(Dep)-5·b(artment)34·b(of)g(Chemistry,)h(Bethel)f(Col)5	6285	2683·y·Fo(Dep)-5·b(artment)34·b(of)g(Chemistry,)h(Bethel)f(Col)5
6286	b(le)-5·b(ge,)34·b(St.)h(Paul,)f(Minnesota)h(55112-6999)1508	6286	b(le)-5·b(ge,)34·b(St.)h(Paul,)f(Minnesota)h(55112-6999)1508
6287	2983·y·Fn(PSI3)f·Fq(V)-8·b(ersion:)44·b(3.4.0)1285·3103	6287	2983·y·Fn(PSI3)f·Fq(V)-8·b(ersion:)44·b(3.4.0)1265·3103
6288	y(Created)34·b(on:)43·b(~~Jan)m~~(uary)33·b(11,)g(2024)930	6288	y(Created)33·b(on:)44·b(F)-8·b(ebruary)33·b(12,)f(2025)930
6289	3224·y(Rep)s(ort)f(bugs)i(to:)43·b(psico)s(de@users.sourceforge.net)p	6289	3224·y(Rep)s(ort)g(bugs)i(to:)43·b(psico)s(de@users.sourceforge.net)p
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6293	SDict·begin·/product·where{pop·product(Distiller)search{pop·pop·pop	6293	SDict·begin·/product·where{pop·product(Distiller)search{pop·pop·pop
6294	version(.)search{exch·pop·exch·pop(3011)eq{gsave·newpath·0·0·moveto	6294	version(.)search{exch·pop·exch·pop(3011)eq{gsave·newpath·0·0·moveto
6295	closepath·clip/Courier·findfont·10·scalefont·setfont·72·72·moveto(.)show	6295	closepath·clip/Courier·findfont·10·scalefont·setfont·72·72·moveto(.)show
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3	···················C.·David·Sherrill,·T.·Daniel·Crawford,·Edward·F.·Valeev,\xd	3	···················C.·David·Sherrill,·T.·Daniel·Crawford,·Edward·F.·Valeev,\xd
4	····················Micah·L.·Abrams,b·Rollin·A.·King,c·and·Ashley·Ringera\xd	4	····················Micah·L.·Abrams,b·Rollin·A.·King,c·and·Ashley·Ringera\xd
5	··················aCenter·for·Computational·Molecular·Science·and·Technology,\xd	5	··················aCenter·for·Computational·Molecular·Science·and·Technology,\xd
6	···················Georgia·Institute·of·Technology,·Atlanta,·Georgia·30332-0400\xd	6	···················Georgia·Institute·of·Technology,·Atlanta,·Georgia·30332-0400\xd
7	··············bDepartment·of·Chemistry,·Virginia·Tech,·Blacksburg,·Virginia·24061-0001\xd	7	··············bDepartment·of·Chemistry,·Virginia·Tech,·Blacksburg,·Virginia·24061-0001\xd
8	··············cDepartment·of·Chemistry,·Bethel·College,·St.·Paul,·Minnesota·55112-6999\xd	8	··············cDepartment·of·Chemistry,·Bethel·College,·St.·Paul,·Minnesota·55112-6999\xd
9	································PSI3·Version:·3.4.0\xd	9	································PSI3·Version:·3.4.0\xd
10	·····························Created·on:·~~Jan~~uary·11,·2024\xd	10	·····························Created·on:·February·12,·2025\xd
11	························Report·bugs·to:·psicode@users.sourceforge.net\xd	11	························Report·bugs·to:·psicode@users.sourceforge.net\xd
12	···············Contents\xd	12	···············Contents\xd
13	···············1·Introduction····················································································4\xd	13	···············1·Introduction····················································································4\xd
14	···················1.1··Overview·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····4\xd	14	···················1.1··Overview·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····4\xd
15	···················1.2··Obtaining·and·Installing·PSI3·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd	15	···················1.2··Obtaining·and·Installing·PSI3·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd
16	···················1.3··Supported·Architectures·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd	16	···················1.3··Supported·Architectures·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.········4\xd
17	···················1.4··Capabilities·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····5\xd	17	···················1.4··Capabilities·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·.·····5\xd