Camphor, MP2/6-31G(d,p) E(MP2)=-464.4808100187 27 C -0.1222524183 2.2914794385 0.2161768641 12.00000000 H -0.8845676651 2.9646140689 -0.1828780974 1.00782500 H -0.1826313648 2.3381381519 1.3061695776 1.00782500 H 0.8607345016 2.6535107025 -0.0962419383 1.00782500 C -0.3657357199 0.8832046307 -0.2822081405 12.00000000 C 0.5361058907 -0.2800032512 0.2281716179 12.00000000 C -1.7467342063 0.3320377906 0.0696204949 12.00000000 O -2.7235967273 0.9803738163 0.4279398627 15.99491500 C -1.6757883666 -1.1912857318 -0.1187365454 12.00000000 C -0.2198855023 -1.3738810580 -0.5812187276 12.00000000 H 0.1698747081 -2.3889886221 -0.4569777479 1.00782500 C 2.0106211166 -0.1449946302 -0.1584378614 12.00000000 C 0.4622902919 -0.4721551111 1.7477350959 12.00000000 H -1.9007669163 -1.6903691273 0.8279214404 1.00782500 H -2.4173341727 -1.5270512361 -0.8499920713 1.00782500 C -0.2901685370 0.7015534120 -1.8261604149 12.00000000 C -0.1466718910 -0.8349014761 -2.0250874263 12.00000000 H 0.8008680186 -1.0911529133 -2.5045120495 1.00782500 H -0.9438965986 -1.2513876843 -2.6469054005 1.00782500 H -1.1769688854 1.1147998345 -2.3165002931 1.00782500 H 0.5737524367 1.2471529749 -2.2168909804 1.00782500 H 2.5484718854 -1.0592456656 0.1118810019 1.00782500 H 2.4715684876 0.6830605846 0.3874506301 1.00782500 H 2.1652162103 0.0305964539 -1.2230136615 1.00782500 H 1.0027788122 0.3316538066 2.2550861169 1.00782500 H 0.9326543367 -1.4182840628 2.0326575991 1.00782500 H -0.5583436250 -0.4719121464 2.1353578533 1.00782500 | |__ Scaled with scaling factor = 1.0025000 Rotational constants: Ref: 1446.968980 1183.367110 1097.101030 Calc: 1450.505966 1182.395845 1096.360558 Ref-Calc: -3.536986 0.971265 0.740472 Moments of inertia: Ref: 349.267384 427.068714 460.649527 Calc: 348.415713 427.419525 460.960645 Ref-Calc: 0.851671 -0.350810 -0.311118 SUM I(ref-calc)**2 = 0.945206