------------------------------------------------------------------------------- HCN...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz 44315.9757000 B.b /MHz 312989.2970000 Ib.a /uA^2 11.4039915 Ib.b /uA^2 1.6146846 M.a /u 27.0108996 M.b /u 35.9766762 Theta.a /deg 18.0100000 Theta.b /deg 21.1100000 Dimer AB B.ab /MHz 2008.5847600 Ib.ab /uA^2 251.6095014 mu /u 15.4278423 DJ.ab /kHz 3.4070000 CALCULATED: R.cm_0/Angstr 4.03841 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 3.93255 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 3.93790 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 9.62172 diatomic from B^3 mu / DJ f.sigma/Nm-1 9.12429 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 102.88654 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 100.18776 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 2032.69706 diatomic, last eq. [KC] I.ab_e/uA^2 248.62485 from B.ab_e R.cm_e/Angstr 4.01439 diatomic, eq.22a [BCKF] B.ab_e/MHz 2033.36280 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 248.54345 from B.ab_e above R.cm_e/Angstr 4.01373 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 1084.13398 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 1028.08547 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- Cyclopropane...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz 20074.0000000 B.b /MHz 312989.2970000 Ib.a /uA^2 25.1758000 Ib.b /uA^2 1.6146846 M.a /u 42.0469500 M.b /u 35.9766762 Theta.a /deg 0.0000000 Theta.b /deg 21.3000000 Dimer AB B.ab /MHz 1522.3313000 Ib.ab /uA^2 331.9770210 C.ab /MHz 1454.7435000 Ic.ab /uA^2 347.4007686 (B+C)/2 1488.5374000 I_(B+C)/2 339.5138140 mu /u 19.3878390 DJ.ab /kHz 1.9100000 CALCULATED: R.cm_0/Angstr 4.18470 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 4.01620 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 4.01688 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 8.77859 diatomic from B^3 mu / DJ f.sigma/Nm-1 8.08625 linear/symmetric complex, eq.12=16 [Millen] f.sigma/Nm-1 8.10568 using B.ab and C.ab, eq.6 [RCH] f.sigma/Nm-1 8.08934 using B.ab and C.ab, eq.21 [Millen], but monomer B=C f.sigma/Nm-1 8.09768 using B.ab and C.ab, eq.25 [Millen], but monomer B=C omega_s/cm-1 87.66623 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 84.13496 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 1504.03030 diatomic, last eq. [KC] I.ab_e/uA^2 336.01651 from B.ab_e R.cm_e/Angstr 4.16309 diatomic, eq.22a [BCKF] B.ab_e/MHz 1504.69482 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 335.86811 from B.ab_e above R.cm_e/Angstr 4.16217 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 1063.76711 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 979.87111 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] eps/cm-1 982.22598 eq.19 [BCKF] using asymmetric f.sigma from eq.6 [RCH] eps/cm-1 981.25645 eq.19 [BCKF] using asymmetric f.sigma from eq.25 [Millen] ------------------------------------------------------------------------------- benzene...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz 5687.7000000 B.b /MHz 312989.2970000 Ib.a /uA^2 88.8547234 Ib.b /uA^2 1.6146846 M.a /u 78.0469500 M.b /u 35.9766762 Theta.a /deg 0.0000000 Theta.b /deg 22.9600000 Dimer AB B.ab /MHz 1237.6836200 Ib.ab /uA^2 408.3264914 mu /u 24.6253337 DJ.ab /kHz 1.2230000 CALCULATED: R.cm_0/Angstr 4.07205 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 3.59273 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 3.59343 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 10.00999 diatomic from B^3 mu / DJ f.sigma/Nm-1 7.79252 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 83.06357 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 73.28508 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 1248.95917 diatomic, last eq. [KC] I.ab_e/uA^2 404.64014 from B.ab_e R.cm_e/Angstr 4.05362 diatomic, eq.22a [BCKF] B.ab_e/MHz 1250.49513 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 404.14313 from B.ab_e above R.cm_e/Angstr 4.05113 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 1150.03615 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 895.27280 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- Acetylene...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz 35283.0000000 B.b /MHz 312989.2970000 Ib.a /uA^2 14.3235839 Ib.b /uA^2 1.6146846 M.a /u 26.0156500 M.b /u 35.9766762 Theta.a /deg 0.0000000 Theta.b /deg 15.6900000 Dimer AB B.ab /MHz 2481.0650000 Ib.ab /uA^2 203.6943853 C.ab /MHz 2308.6020000 Ic.ab /uA^2 218.9112762 (B+C)/2 2394.8335000 I_(B+C)/2 211.0288711 mu /u 15.0979431 DJ.ab /kHz 7.9000000 CALCULATED: R.cm_0/Angstr 3.73863 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 3.59467 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 3.59522 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 6.88281 diatomic from B^3 mu / DJ f.sigma/Nm-1 6.36326 linear/symmetric complex, eq.12=16 [Millen] f.sigma/Nm-1 6.39821 using B.ab and C.ab, eq.6 [RCH] f.sigma/Nm-1 6.36949 using B.ab and C.ab, eq.21 [Millen], but monomer B=C f.sigma/Nm-1 6.38599 using B.ab and C.ab, eq.25 [Millen], but monomer B=C omega_s/cm-1 87.96478 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 84.57633 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 2435.31468 diatomic, last eq. [KC] I.ab_e/uA^2 207.52103 from B.ab_e R.cm_e/Angstr 3.70742 diatomic, eq.22a [BCKF] B.ab_e/MHz 2436.99462 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 207.37798 from B.ab_e above R.cm_e/Angstr 3.70615 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 661.45614 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 611.52623 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] eps/cm-1 614.88472 eq.19 [BCKF] using asymmetric f.sigma from eq.6 [RCH] eps/cm-1 613.71043 eq.19 [BCKF] using asymmetric f.sigma from eq.25 [Millen] ------------------------------------------------------------------------------- Ethylene...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz 27427.0000000 B.b /MHz 312989.2970000 Ib.a /uA^2 18.4263321 Ib.b /uA^2 1.6146846 M.a /u 28.0313000 M.b /u 35.9766762 Theta.a /deg 0.0000000 Theta.b /deg 15.4600000 Dimer AB B.ab /MHz 2308.1430000 Ib.ab /uA^2 218.9548091 C.ab /MHz 2167.9700000 Ic.ab /uA^2 233.1116252 (B+C)/2 2238.0565000 I_(B+C)/2 225.8115512 mu /u 15.7554271 DJ.ab /kHz 7.2000000 CALCULATED: R.cm_0/Angstr 3.78580 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 3.61390 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 3.61441 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 6.43221 diatomic from B^3 mu / DJ f.sigma/Nm-1 5.86161 linear/symmetric complex, eq.12=16 [Millen] f.sigma/Nm-1 5.88625 using B.ab and C.ab, eq.6 [RCH] f.sigma/Nm-1 5.86568 using B.ab and C.ab, eq.21 [Millen], but monomer B=C f.sigma/Nm-1 5.87717 using B.ab and C.ab, eq.25 [Millen], but monomer B=C omega_s/cm-1 83.24338 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 79.46227 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 2275.40023 diatomic, last eq. [KC] I.ab_e/uA^2 222.10555 from B.ab_e R.cm_e/Angstr 3.75461 diatomic, eq.22a [BCKF] B.ab_e/MHz 2277.24049 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 221.92606 from B.ab_e above R.cm_e/Angstr 3.75309 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 633.98664 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 577.74566 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] eps/cm-1 580.17424 eq.19 [BCKF] using asymmetric f.sigma from eq.6 [RCH] eps/cm-1 579.27983 eq.19 [BCKF] using asymmetric f.sigma from eq.25 [Millen] ------------------------------------------------------------------------------- CO...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz 57635.9710000 B.b /MHz 312989.2970000 Ib.a /uA^2 8.7684653 Ib.b /uA^2 1.6146846 M.a /u 27.9949146 M.b /u 35.9766762 Theta.a /deg 0.0000000 Theta.b /deg 23.0000000 Dimer AB B.ab /MHz 1671.7234000 Ib.ab /uA^2 302.3101848 mu /u 15.7439258 DJ.ab /kHz 4.8020000 CALCULATED: R.cm_0/Angstr 4.38197 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 4.30607 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 4.30697 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 4.01637 diatomic from B^3 mu / DJ f.sigma/Nm-1 3.87860 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 65.80289 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 64.66190 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 1698.03205 diatomic, last eq. [KC] I.ab_e/uA^2 297.62631 from B.ab_e R.cm_e/Angstr 4.34790 diatomic, eq.22a [BCKF] B.ab_e/MHz 1698.51140 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 297.54231 from B.ab_e above R.cm_e/Angstr 4.34728 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 530.86303 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 512.65309 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- 40Ar...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz **************** B.b /MHz 312989.2970000 Ib.a /uA^2 0.0000000 Ib.b /uA^2 1.6146846 M.a /u 39.9623482 M.b /u 35.9766762 Theta.a /deg 0.0000000 Theta.b /deg 41.5300000 Dimer AB B.ab /MHz 1678.5083900 Ib.ab /uA^2 301.0881644 mu /u 18.9324589 DJ.ab /kHz 20.0636000 CALCULATED: R.cm_0/Angstr 3.98789 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 3.97718 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 3.97954 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 1.17009 diatomic from B^3 mu / DJ f.sigma/Nm-1 1.16386 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 32.38845 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 32.30095 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 1734.26447 diatomic, last eq. [KC] I.ab_e/uA^2 291.40827 from B.ab_e R.cm_e/Angstr 3.92326 diatomic, eq.22a [BCKF] B.ab_e/MHz 1734.42592 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 291.38114 from B.ab_e above R.cm_e/Angstr 3.92308 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 125.92258 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 125.25292 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- 132Xe...H81Br ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz **************** B.b /MHz 250280.5800000 Ib.a /uA^2 0.0000000 Ib.b /uA^2 2.0192498 M.a /u 131.9041550 M.b /u 81.9241172 Theta.a /deg 0.0000000 Theta.b /deg 34.2600000 Dimer AB B.ab /MHz 514.5795000 Ib.ab /uA^2 982.1203721 mu /u 50.5364952 DJ.ab /kHz 0.9920000 CALCULATED: R.cm_0/Angstr 4.40839 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 4.40385 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 4.40457 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 1.82012 diatomic from B^3 mu / DJ f.sigma/Nm-1 1.81646 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 24.72477 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 24.69893 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 521.17561 diatomic, last eq. [KC] I.ab_e/uA^2 969.69045 from B.ab_e R.cm_e/Angstr 4.38040 diatomic, eq.22a [BCKF] B.ab_e/MHz 521.18269 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 969.67728 from B.ab_e above R.cm_e/Angstr 4.38037 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 244.18498 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 243.69391 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- 82Kr...H35Cl ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz **************** B.b /MHz 312989.2970000 Ib.a /uA^2 0.0000000 Ib.b /uA^2 1.6146846 M.a /u 81.9134820 M.b /u 35.9766762 Theta.a /deg 0.0000000 Theta.b /deg 37.7400000 Dimer AB B.ab /MHz 1209.3075000 Ib.ab /uA^2 417.9077778 mu /u 24.9976322 DJ.ab /kHz 7.4310000 CALCULATED: R.cm_0/Angstr 4.08875 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 4.08085 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 4.08233 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 1.55995 diatomic from B^3 mu / DJ f.sigma/Nm-1 1.55399 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 32.54549 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 32.48202 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 1237.56249 diatomic, last eq. [KC] I.ab_e/uA^2 408.36646 from B.ab_e R.cm_e/Angstr 4.04181 diatomic, eq.22a [BCKF] B.ab_e/MHz 1237.62036 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 408.34736 from B.ab_e above R.cm_e/Angstr 4.04171 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 178.17760 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 177.49716 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- 40Ar...H81Br ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz **************** B.b /MHz 250280.5800000 Ib.a /uA^2 0.0000000 Ib.b /uA^2 2.0192498 M.a /u 39.9623480 M.b /u 81.9241172 Theta.a /deg 0.0000000 Theta.b /deg 42.1100000 Dimer AB B.ab /MHz 1097.5810900 Ib.ab /uA^2 460.4479930 mu /u 26.8600790 DJ.ab /kHz 12.2260000 CALCULATED: R.cm_0/Angstr 4.14035 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 4.13126 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 4.13330 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 0.76170 diatomic from B^3 mu / DJ f.sigma/Nm-1 0.75839 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 21.93927 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 21.89074 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 1132.69297 diatomic, last eq. [KC] I.ab_e/uA^2 446.17476 from B.ab_e R.cm_e/Angstr 4.07567 diatomic, eq.22a [BCKF] B.ab_e/MHz 1132.77596 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 446.14207 from B.ab_e above R.cm_e/Angstr 4.07552 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 88.46480 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 88.08082 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- 82Kr...H81Br ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz **************** B.b /MHz 250280.5800000 Ib.a /uA^2 0.0000000 Ib.b /uA^2 2.0192498 M.a /u 81.9134820 M.b /u 81.9241172 Theta.a /deg 0.0000000 Theta.b /deg 38.0500000 Dimer AB B.ab /MHz 683.7103000 Ib.ab /uA^2 739.1712689 mu /u 40.9593996 DJ.ab /kHz 2.6579000 CALCULATED: R.cm_0/Angstr 4.24811 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 4.24230 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 4.24341 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 1.29146 diatomic from B^3 mu / DJ f.sigma/Nm-1 1.28799 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 23.13387 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 23.10186 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 696.29341 diatomic, last eq. [KC] I.ab_e/uA^2 725.81328 from B.ab_e R.cm_e/Angstr 4.20955 diatomic, eq.22a [BCKF] B.ab_e/MHz 696.31150 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 725.79443 from B.ab_e above R.cm_e/Angstr 4.20950 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 160.00837 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 159.57845 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- CO...HC14N ------------------------------------------------------------------------------- INPUT DATA: Monomer A Monomer B B.a /MHz 57635.9710000 B.b /MHz 44315.9757000 Ib.a /uA^2 8.7684653 Ib.b /uA^2 11.4039915 M.a /u 27.9949146 M.b /u 27.0108996 Theta.a /deg 0.0000000 Theta.b /deg 14.1600000 Dimer AB B.ab /MHz 1476.2925000 Ib.ab /uA^2 342.3298635 mu /u 13.7470527 DJ.ab /kHz 3.3060000 CALCULATED: R.cm_0/Angstr 4.99020 diatomic, from Ib_ab = mu R.cm_0^2 R.cm/Angstr 4.84094 from Ib_ab = Ib_a + Ib_b + mu R_cm^2, e.g. eq.17 [Millen] R.cm/Angstr 4.84350 as above but with (1+cos^2 theta) corrections f.sigma/Nm-1 3.50811 diatomic from B^3 mu / DJ f.sigma/Nm-1 3.30154 linear/symmetric complex, eq.12=16 [Millen] omega_s/cm-1 65.81374 diatomic from DJ=4B^3/omega^2, eq.14 [BCKF] omega_s/cm-1 63.84414 from 1/(2pi)sqrt(f.sigma/mu), eq.15 [BCKF] and using f.sigma from eq.12=16 [Millen] B.ab_e/MHz 1496.72973 diatomic, last eq. [KC] I.ab_e/uA^2 337.65549 from B.ab_e R.cm_e/Angstr 4.95601 diatomic, eq.22a [BCKF] B.ab_e/MHz 1497.37849 last eq. [KC] with omega_s eq.15 [BCKF} + eq.12=16 [Millen] I.ab_e/uA^2 337.50920 from B.ab_e above R.cm_e/Angstr 4.95494 diatomic, eq.22a [BCKF] but from I.ab_e above eps/cm-1 602.46007 eq.19 [BCKF] using diatomic f.sigma eps/cm-1 566.98446 eq.19 [BCKF] using f.sigma from eq.12=16 [Millen] ------------------------------------------------------------------------------- [BCKF] T.J.Balle, E.J.Campbell, M.R.Keenan, W.H.Flygare, A new method for observing the rotational spectra of weak molecular complexes, J.Chem.Phys. 72 (1980) 922-932. [RCH] W.G.Read, E.J.Campbell, G.Henderson, The rotational spectrum and molecular structure of the benzene-hydrogen chloride complex, J.Chem.Phys. 78 (1983) 3501-3508. [Millen] D.J.Millen, Determination of stretching force constants of weakly bound dimers from centrifugal distortion constants", Canad.J.Chem. 7 (1985) 1477-1479. [KC] S.G.Kukolich, E.J.Campbell, Microwave measurements of bromine quadrupole coupling constants and the molecular structure of XeHBr", Chem.Phys.Lett. 94 (1983) 73-76. -------------------------------------------------------------------------------