CCL:G: frequency output
- From: "neeraj misra"
<misraneeraj{:}gmail.com>
- Subject: CCL:G: frequency output
- Date: Tue, 27 Feb 2007 12:20:22 -0500
Sent to CCL by: "neeraj misra" [misraneeraj##gmail.com]
DO WE HAVE TO SCALE THE POTENTIAL ENERGY DISTRIBUTIONS GIVEN IN THE FREQUENCY
OUTPUT WHEN WE GIVE FREQ=INTERNAL AS THE ADDITIONAL KEYWORD IN A FREQUENCY
CALCULATION BY GAUSSIAN O3W.
I AM ATTACHING THE OUTPUT OF A FREQ CALCULATION WHICH GIVES THE NORMAL MODES
ALSO.PLEASE CLARIFY THIS DOUBT.
THANKS IN ADVANCE
----------------------------
! Normal Mode 1 !
--------------------------
--------------------------
! Name Definition Value Relative Weight (%)
!
--------------------------------------------------------------------------------
! R1 L(2,13,3,11,-2) 0.0529 3.3
!
! R2 D(11,3,4,5) -0.0268 1.7
!
! R3 D(11,3,4,14) -0.0633 3.9
!
! R4 D(13,3,4,5) -0.0699 4.3
!
! R5 D(13,3,4,14) -0.1064 6.5
!
! R6 D(13,3,11,9) 0.0435 2.7
!
! R7 D(13,3,11,12) 0.0378 2.3
!
! R8 D(3,4,5,7) 0.0307 1.9
!
! R9 D(14,4,5,6) 0.0488 3.0
!
! R10 D(14,4,5,7) 0.065 4.0
!
! R11 D(3,4,14,1) -0.2322 14.3
!
! R12 D(3,4,14,15) -0.2016 12.4
!
! R13 D(5,4,14,1) -0.2682 16.5
!
! R14 D(5,4,14,15) -0.2376 14.6
!
! R15 D(7,9,11,12) 0.0231 1.4
!
--------------------------------------------------------------------------------
----------------------------
! Normal Mode 2 !
--------------------------
--------------------------
! Name Definition Value Relative Weight (%)
!
--------------------------------------------------------------------------------
! R1 L(2,13,3,11,-2) -0.1396 5.7
!
! R2 D(11,3,4,5) 0.0721 3.0
!
! R3 D(11,3,4,14) 0.041 1.7
!
! R4 D(13,3,4,5) 0.1706 7.0
!
! R5 D(13,3,4,14) 0.1394 5.7
!
! R6 D(4,3,11,9) -0.0795 3.3
!
! R7 D(4,3,11,12) -0.031 1.3
!
! R8 D(13,3,11,9) -0.1715 7.1
!
! R9 D(13,3,11,12) -0.123 5.1
!
! R10 D(3,4,14,1) -0.2421 10.0
!
! R11 D(3,4,14,15) -0.2265 9.3
!
! R12 D(5,4,14,1) -0.2728 11.2
!
! R13 D(5,4,14,15) -0.2573 10.6
!
! R14 D(4,5,7,8) -0.0408 1.7
!
! R15 D(4,5,7,9) -0.0642 2.6
!
! A1 D(6,5,7,9) -0.0437 1.8
!
! A2 D(5,7,9,10) 0.036 1.5
!
! A3 D(5,7,9,11) 0.0571 2.3
!
! A4 D(8,7,9,11) 0.0336 1.4
!
! A5 D(7,9,11,12) -0.0345 1.4
!
! A6 D(10,9,11,3) 0.0354 1.5
!
--------------------------------------------------------------------------------
----------------------------