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Date Name Thumbnail Size Description Versions
16:28, 2 April 2009 Benz cas s0s1 431g.log (file) 181 KB   1
16:28, 2 April 2009 Benz cas s0s1 431g.gjf (file) 226 bytes   1
16:27, 2 April 2009 Benz cas s0s1 conical sto3g.log (file) 2.22 MB   1
16:27, 2 April 2009 Benz cas s0s1 conical sto3g.gjf (file) 882 bytes   1
16:12, 2 April 2009 Benz cas s1 631g freq.log (file) 416 KB   1
16:12, 2 April 2009 Benz cas s1 631g freq.gjf (file) 170 bytes   1
16:12, 2 April 2009 Benz cas s1 631g.log (file) 775 KB   1
16:11, 2 April 2009 Benz cas s1 631g.gjf (file) 176 bytes   1
16:05, 2 April 2009 Benz cas s1 FC.log (file) 357 KB   1
16:05, 2 April 2009 Benz cas s1 FC.gjf (file) 157 bytes   1
14:32, 2 April 2009 Benz cas 631g opt.log (file) 773 KB   1
14:32, 2 April 2009 Benz cas 631g opt.gjf (file) 713 bytes   2
14:31, 2 April 2009 Benz cas 431g.log (file) 180 KB   1
14:31, 2 April 2009 Benz cas 431g.gjf (file) 168 bytes   1
14:30, 2 April 2009 Benz cas sto3g opt.log (file) 233 KB   1
14:29, 2 April 2009 Benz cas sto3g opt.gjf (file) 828 bytes   1
14:25, 2 April 2009 Benz cas sto3g loc.log (file) 87 KB   1
14:25, 2 April 2009 Benz cas sto3g loc.gjf (file) 836 bytes   1
14:24, 2 April 2009 Benz cas sto3g.log (file) 86 KB   1
14:24, 2 April 2009 Benz cas sto3g.gjf (file) 833 bytes   1
14:16, 2 April 2009 Benz rhf.log (file) 63 KB   1
14:15, 2 April 2009 Benz rhf.gjf (file) 800 bytes   1
14:13, 2 April 2009 Window benz 2.jpg (file) 220 KB   1
12:53, 26 March 2009 Aurelie freq ts1 forward withstepsize.log (file) 74 KB   1
12:53, 26 March 2009 Aurelie freq ts1 forward withoutstepsize.log (file) 73 KB   1
12:50, 26 March 2009 Aurelie irc ts1 forward withstepsize.log (file) 464 KB   1
12:49, 26 March 2009 Aurelie irc ts1 forward withoutstepsize.log (file) 835 KB   1
12:49, 26 March 2009 Aurelie irc ts1 reverse withstepsize.log (file) 650 KB   1
12:49, 26 March 2009 Aurelie irc ts1 reverse withoutstepsize.log (file) 568 KB   1
11:55, 26 March 2009 Irc forward2.jpg (file) 179 KB   1
11:51, 26 March 2009 Irc forward1.jpg (file) 152 KB   1
11:45, 26 March 2009 Irc reverse2.jpg (file) 177 KB   1
11:41, 26 March 2009 Irc reverse1.jpg (file) 199 KB   1
12:10, 25 March 2009 Patha pathb.jpg (file) 17 KB   1
15:21, 23 March 2009 Window maxcycle.jpg (file) 164 KB   1
15:06, 23 March 2009 Window smallermaxstep.jpg (file) 181 KB   1
16:49, 20 March 2009 Window nosymm.jpg (file) 216 KB   1
15:55, 20 March 2009 Window classical optimization.jpg (file) 185 KB   1
15:06, 20 March 2009 Window opt+freq28.jpg (file) 62 KB   1
12:10, 20 March 2009 Aurelie opt+freq int dftuccpvdz Maxcycle.log (file) 203 KB   1
12:09, 20 March 2009 Aurelie opt+freq int dftuccpvdz Extract a point.log (file) 5 KB   1
12:09, 20 March 2009 Aurelie opt+freq int dftuccpvdz Smaller MaxStep.log (file) 761 KB   1
12:09, 20 March 2009 Aurelie opt+freq int dftuccpvdz Calcall2 nosymm.log (file) 1.16 MB   1
12:09, 20 March 2009 Aurelie opt+freq int dftuccpvdz Calcall1.log (file) 621 KB   1
12:08, 20 March 2009 Aurelie opt+freq int dftuccpvdz Maxstep.log (file) 897 KB   1
12:08, 20 March 2009 Aurelie opt+freq int dftuccpvdz NoSymm.log (file) 687 KB   1
12:08, 20 March 2009 Aurelie opt+freq int dftuccpvdz Classical optimization.log (file) 975 KB   1
11:48, 20 March 2009 Aurelie opt+freq int dftuccpvdz intchksuccess.log (file) 253 KB   1
11:48, 20 March 2009 Aurelie guess+freq int dftuccpvdz intchk1.log (file) 50 KB   1
11:47, 20 March 2009 Aurelie stable int dftuccpvdz intchk1.log (file) 42 KB   1
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