Fluorobenzene, a(400.4cm-1) <-> b(413.9 cm-1) coupling Wed Sep 15 13:32:54 2004 23 706 10 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 a 1 2 0 ,, ,,,,,,,,,,,,,,,, 10000 5.681673534668422E+003 9.61143555E-004 /A 20000 2.570590244293017E+003 3.02748448E-004 /B 30000 1.766597575651740E+003 9.50679982E-005 /C 200 -1.331526561365284E-004 1.72830777E-008 /-DJ 1100 -2.111666913838265E-004 7.10643768E-008 /-DJK 2000 -9.526433104713267E-004 1.51883786E-006 /-DK 40100 -4.354215993475299E-005 9.35660184E-009 /-delJ 41000 -3.865880667367806E-004 1.58316004E-007 /-delK 10011 5.658410746395070E+003 1.26684721E-003 /A 20011 2.570758636569597E+003 3.06750785E-004 /B 30011 1.769052462273090E+003 8.17583999E-005 /C 211 -1.336469384008825E-004 1.82471516E-008 /-DJ 1111 -2.133889977581918E-004 7.86099014E-008 /-DJK 2011 -8.361383903161107E-004 1.83751803E-006 /-DK 40111 -4.369371687616099E-005 8.97003113E-009 /-delJ 41011 -3.722044491826697E-004 1.77532085E-007 /-delK 11 2.234979150591566E+005 1.54559052E-001 /E 400001 2.750815833575351E+002 1.10140364E-001 /iGb 400101 1.000000000000000E-020 1.00000000E-030 /iGbJ 401001 1.000000000000000E-020 1.00000000E-030 /iGbK 410001 6.094712827243696E-001 2.04191826E-003 /Fca 410101 -2.074223355610608E-006 3.65736430E-008 /FcaJ 411001 1.000000000000000E-020 1.00000000E-030 /FcaK -------------------------------------------------------------------------------- Block number: 38 9 1 8 0 9 3 6 0 9 5 4 0 9 7 2 0 9 9 0 0 9 0 9 1 9 2 7 1 9 4 5 1 9 6 3 1 9 8 1 1 9 1 8 0 216775.000 -17280.700 0.000 0.000 0.000 -1849.390 1281.670 0.000 0.000 0.000 9 3 6 0 -17280.700 226790.000 -14851.300 0.000 0.000 0.000 -1274.540 1195.890 0.000 0.000 9 5 4 0 0.000 -14851.300 282998.000 -10785.700 0.000 0.000 0.000 -1173.690 1039.430 0.000 9 7 2 0 0.000 0.000 -10785.700 367310.000 -4971.700 0.000 0.000 0.000 -980.349 775.348 9 9 0 0 0.000 0.000 0.000 -4971.700 479724.000 0.000 0.000 0.000 0.000 -605.508 9 0 9 1 -1849.390 0.000 0.000 0.000 0.000 418788.000 -25224.500 0.000 0.000 0.000 9 2 7 1 1281.670 -1274.540 0.000 0.000 0.000 -25224.500 432742.000 -16222.800 0.000 0.000 9 4 5 1 0.000 1195.890 -1173.690 0.000 0.000 0.000 -16222.800 474604.000 -12988.200 0.000 9 6 3 1 0.000 0.000 1039.430 -980.349 0.000 0.000 0.000 -12988.200 544373.000 -8095.920 9 8 1 1 0.000 0.000 0.000 775.348 -605.508 0.000 0.000 0.000 -8095.920 642048.000 -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Block number:158 ( 40 x 40) MaxH(i,j) = 8723370.00 space = 0.00000 * maxH . = > 0.00000 to 0.00001 * maxH , = > 0.00001 to 0.00010 * maxH o = > 0.00010 to 0.00100 * maxH X = > 0.00100 * maxH 1 10 20 30 40 _________|_________|_________|_________| 1:39 138 0 |XX oo 2:39 336 0 |XXX oo 3:39 534 0 | XXX oo 4:39 732 0 | XXX oo 5:39 930 0 | XXX oo 6:391128 0 | XXX oo 7:391326 0 | XXX oo 8:391524 0 | XXX oo 9:391722 0 | XXX oo 10:391920 0 - XXX oo 11:392118 0 | XXX oo 12:392316 0 | XXX oo 13:392514 0 | XXX oo 14:392712 0 | XXX oo 15:392910 0 | XXX oo 16:3931 8 0 | XXX oo 17:3933 6 0 | XXX oo 18:3935 4 0 | XXX oo 19:3937 2 0 | XXX oo 20:3939 0 0 - XX o 21:39 039 1 |o XX 22:39 237 1 |oo XXX 23:39 435 1 | oo XXX 24:39 633 1 | oo XXX 25:39 831 1 | oo XXX 26:391029 1 | oo XXX 27:391227 1 | oo XXX 28:391425 1 | oo XXX 29:391623 1 | oo XXX 30:391821 1 - oo XXX 31:392019 1 | oo XXX 32:392217 1 | oo XXX 33:392415 1 | oo XXX 34:392613 1 | oo XXX 35:392811 1 | oo XXX 36:3930 9 1 | oo XXX 37:3932 7 1 | oo XXX 38:3934 5 1 | oo XXX 39:3936 3 1 | oo XXX 40:3938 1 1 - oo XX --------------------------------------------------------------------------------