David Shobe
avidshobe@yahoo.com
RESULTS OF MOLLER-PLESSET 4TH ORDER CORRECTION ARE
E(RHF) = -191.5694925024
E(D,2) = -0.6494633272
E(MP2) = -192.2189558295
E(D,3) = 0.2696414733
E(D,2+3) = -0.3798218539
E(MP3) = -191.9493143563
E(S,4) = -0.0517477560
E(D,4) = -26.2790188653
E(D,2+3+4) = -26.6588407192
E(T,4) = -0.0344433158
E(R+Q,4) = 0.0171693598
E(SDTQ,4) = -26.3480405772
E(SDTQ,2+3+4)= -26.7278624311
E(MP4-SDTQ) = -218.2973549335
![]() | This message contains the 629 kb attachment [ penta13diyne_mp4_part2.out ] Firefly output file |