Morse Clusters: Table of Global Minima

Global minima of M_N for $N\le 80$. Energies at values of $\rho_0$ for which the structure is the global minimum are given in bold. $\rho_{min}$ and $\rho_{max}$ give the range of $\rho_o$ for which the structure is the global minimum. For 5A, 6A and 7A no values are given because they are global minima for all values of $\rho_o$ that we have considered. If at a particular value of $\rho_0$ a structure is not a minimum but a higher order saddle point, the index of the stationary point (the number of negative eigenvalues of the Hessian) is given in square brackets after the energy. $E_{\rm strain}$ has been calculated at $\rho_0$=10. If a structure is not stable at $\rho_0$=10 no value of $E_{\rm strain}$ is given. All energies are given in units of the pair well depth, $\epsilon$.

The ten new global minima are labelled with a '. 61B' and 68D' were found by Wolfgang Branz, 78D' was found by Bob Leary and Kevin Chan (San Diego Supercomputing Centre) and 24A', 25A', 45C', 48B', 48D', 51C', 64D', 67F' and 72E' were found by Marco Locatelli and Fabio Schoen.

Click on a label to access the points file for the structure in Cartesian coordinates. The first line contains the value of $\rho_0$. The unit of distance is the equilibrium pair separation.

Alternatively, click here to access a tar file containing all the points.

Jump to 10A , 20A , 30A , 40A , 50A , 60A , 70A , 80A .

 

$$E_{\rm strain} \rho_0=3 \rho_0=6 \rho_0=10 \rho_0=14 \rho_{min} \rho_{max}$$ PG n_nn

5A D_3h 9 0.000  -9.299500  -9.044930  -9.003565  -9.000283

6A O_h 12 0.000 -13.544229 -12.487810 -12.094943 -12.018170

7A D_5h 16 0.062 -17.552961 -16.207580 -15.956512 -15.883113

8A D_2d 18 0.006 -22.042901 -19.161862 -18.275118 -18.076248 5.28

8B C_s 19 0.062 -19.327420 -18.964638 -18.883688 5.28

9A D_3h 21 0.002 -26.778449 -22.330837 -21.213531 -21.037957 3.42

9B C_2v 23 0.186 -26.607698 -23.417190 -22.850758 -22.644892 3.42

10A D_4d 24 0.002 -31.519768 -25.503904 -24.204958 -24.031994 2.28

10B C_3v 27 0.694 -31.888630 -27.473283 -26.583857 -26.132735 2.28

11A D_4d 34 10.374 -37.930817 -28.795153[4] -23.666072[5] 3.40

11B C_2v 32 -37.891674[1] 3.40 3.67

11C C_2v 31 0.792 -31.521880 -30.265230 -29.588130[1] 3.67 13.57

11D C_s 30 -29.596054 13.57 15.29

11E C₂ 30 0.248 -36.613190[1] -30.698890 -29.808994 -29.524398 15.29 20.60

11F C_2v 29 0.001 -36.697760 -30.431713 -29.215510 -29.037941 20.60

12A C_2v 38 -43.971339[1] -35.199881[1] 2.63

12B C_5v 36 1.704 -44.097880 -36.400278 -34.366755 -33.115942[1] 2.63 12.15

12C C_s 34 -33.199505 12.15 13.03

12D D_2d 34 0.346 -41.816393 -34.838761 -33.724155 -33.332305 13.03 17.08

12E D_3h 33 0.001 -42.121440 -34.568002 -33.222331 -33.038298 17.08

13A I_h 42 2.425 -51.737046 -42.439863 -39.662975 -37.258877 14.76

13B D_5h 37 0.141 -49.998058[1] -39.360710[1] -37.208019[1] -36.790507 14.76

14A C_2v 46 4.373 -56.754744 -44.827522[1] -41.717043[1] 3.23

14B C_3v 45 2.425 -56.660471 -45.619277 -42.675222 -40.259823 3.23 13.06

14C C_2v 41 0.141 -55.971620[2] -43.634048[1] -41.249282 -40.798348 13.06

15A D_6d 50 9.527 -63.162119 -47.570579 -40.569211[10] -35.758904[13] 3.72

15B C_2v 49 2.573 -62.593904 -49.748409 -46.541404 -44.086633 3.72 12.71

15C C_2v 45 0.141 -62.631372[2] -47.952559 -45.293844 -44.806437 12.71

16A D_3h 54 11.222 -69.140648 -50.834213 -42.887569[12] 3.39

16B C_s 53 2.868 -68.757203 -53.845835 -50.261947 -47.831957 3.39 11.99

16C C_2v 49 0.142 -68.575718[1] -52.265348 -49.338173 -48.814517 11.99

17A D_3h 58 -75.662417 -53.156042[2] 3.42

17B C_3v 57 3.372 -75.147372 -57.884517 -53.772213 -51.329560 3.42 4.88

17C C_s 57 3.281 -75.091367 -57.912963 -53.862044 -51.440588 4.88 4.91

17D C₂ 57 3.163 -75.005403 -57.941386 -53.983559 4.91 11.30

17E C_2v 53 0.142 -74.868921[1] -56.573571 -53.382277 -52.822588 11.30

18A C₂ 65 -82.579266 -59.881449[1] 2.14 3.03

18B C_5v 62 4.500 -82.548885 -62.689245 -57.657135 -54.059707 3.03 10.13

18C C_s 61 3.528 -81.256639 -62.002920 -57.634324 -55.776126 10.13 10.43

18D D_5h 57 0.142 -81.490185 -60.926500 -57.429683 -56.830907 10.43

19A D_5h 68 6.001 -90.647461 -68.492285 -62.166843 -56.676685[4] 10.70

19B C_2v 61 0.151 -87.485744 -65.064771 -61.427105 -60.812425 10.70

20A C_2v 72 6.507 -97.417393 -72.507782 -65.679115 -61.327229 2.02 10.24

20B C_2v 65 0.162 -94.222416 -69.202704 -65.423697 -64.791953 10.24

21A C_2v 76 7.133 -104.336946 -76.487266 -69.068687 -65.179591[1] 5.40

21B C₁ 76 6.922 -104.004129 -76.529139 -69.276346 -65.778898 5.40 9.84

21C C_s 69 0.169 -73.577014 -69.449904 -68.783571 9.84

22A C_s 81 8.198 -112.041223 -81.136735 -73.014321 -68.580862[1] 9.58

22B C₁ 73 0.169 -77.887855 -73.494292 -72.791747 9.58

23A D_3h 87 10.597 -120.786879 -86.735494 -76.630624 -70.816059[5] 8.35

23B D_3h 84 6.097 -116.279438 -84.940552 -78.143867 -74.442341[2] 8.35 9.71

23C C_s 78 0.433 -83.504908 -78.325380 -77.302495 9.71 22.45

23D C₁ 76 0.007 -82.252747 -76.898804 -76.157457 22.45

24A C_s 91 10.947 -127.884549 -90.685398 -80.295459[1] -74.613738[2] 2.79 6.32

24A' C_2v 91 10.811 -127.693445 -90.680804 -80.436484[1] 6.32 8.61

24B C₁ 82 0.434 -87.820376 -82.370214 -81.309508 8.61 15.34

24C C_2v 81 0.007 -87.626843 -81.941420 -81.164168 15.34

25A C_s 96 12.090 -136.072704 -95.127899 -84.168765 2.62 6.21

25A' C_2v 94 9.391 -133.791304 -95.040400 -84.912360[1] -80.706907[2] 6.21 8.28

25B C_3v 87 0.893 -93.342771 -86.989688 -85.477376 8.28 15.40

25C C_s 85 0.010 -92.241466 -86.015371 -85.176789 15.40

26A T_d 102 15.393 -145.322134 -100.549598 -86.882333[11] 7.89

26B C_2v 91 0.491 -138.940920[3] -97.363225 -91.370250 -90.210764 7.89 14.20

26C D_3h 90 0.008 -97.648652 -91.085136 -90.189274 14.20

27A C_s 106 -152.513867 -104.489430 4.72

27B C_2v 106 -151.734925 -104.745275 4.72 7.71

27C C_s 97 3.076 -102.749592 -94.736230 -91.236563[1] 7.71 8.53

27D C_s 95 0.491 -146.171281[2] -101.722918 -95.419490 -94.219798 8.53 14.22

27E C_s 94 0.008 -101.920210 -95.121297 -94.195553 14.22

28A C_s 111 -160.773356 -108.854564 4.82

28B C_s 111 -160.385239 -108.997831 4.82 6.70

28C C_3v 102 3.369 -108.186446 -99.524026 -95.692056 6.70 8.88

28D C_s 100 0.983 -107.213896 -100.008358 -98.331711 8.88 14.57

28E C_2v 98 0.008 -106.238844 -99.161073 -98.202117 14.57

29A D_3h 117 -170.115560 -114.145949 6.90

29B C₁ 106 3.370 -112.655980 -103.586316 -99.702681 6.90 8.95

29C C₁ 104 0.988 -111.543685 -104.051412 -102.333194 8.95 11.07

29D C_2v 103 0.246 -111.508961 -103.946446 -102.743899 11.07 11.17

29E D_5h 103 0.225 -164.720567 -111.353973 -103.926827 -102.774589 11.17 21.90

29F C_3v 102 0.010 -111.135014[1] -103.298583 -102.227015 21.90

30A C_2v 121 -177.578647 -118.115802 4.47

30B C_2v 121 8.279 -176.940971 -118.432844 -103.407917[1] 4.47 6.86

30C C_2v 109 1.538 -117.010672 -108.571179 -106.426033 6.86 12.37

30D' C_s 107 0.204 -115.974020 -108.038216 -106.835790 12.37 23.49

30E C_s 106 0.012 -115.625207 -107.367696 -106.239394 23.49

31A C₁ 126 -185.984248 -122.440052 4.60

31B C_s 126 -185.299446 -122.857743 4.60 6.35

31C C_s 115 3.490 -122.342421 -112.542723 -108.722594 6.35 8.93

31D C_2v 112 0.269 -184.500261 -121.523693 -113.066115 -111.724317 8.93 10.98

31E C_2v 112 0.246 -181.901112[1] -121.367441 -113.048378 -111.760670 10.98 20.90

31F C_s 111 0.011 -120.805231 -112.376045 -111.239641 20.90

32A C_2v 132 -195.468461 -127.643751 5.93

32B C_2v 120 3.831 -127.771395 -117.284334 5.93 10.27

32C C_s 116 0.269 -125.953587 -117.116756 -115.732921 10.27 11.33

32D C₁ 116 0.260 -125.950348 -117.105640 -115.748493 11.33 11.40

32E C_s 116 0.246 -188.807956[1] -125.644966 -117.086755 -115.767561 11.40 20.90

32F C_s 115 0.011 -125.126341 -116.415892 -115.246208 20.90

33A C_s 137 -204.208737 -131.704206[1] 5.35

33B C_5v 137 -203.575130 -131.773513 5.35 5.74

33C C_s 124 3.832 -132.287431 -121.352047 5.74 8.46

33D C_2v 121 0.313 -131.555811 -122.160387 -120.665738 8.46 9.71

33E C_2v 121 0.269 -131.378662 -122.167479 -120.741345 9.71 19.88

33F C_s 120 0.011 -130.466899 -121.454645 -120.252542 19.88

34A D_5h 143 -214.068392 -136.468311 5.87

34B C_2v 128 3.832 -209.946801 -136.797544 -125.419532 5.87 8.52

34C C_s 125 0.313 -135.989024 -126.211991 -124.674640 8.52 9.55

34D C₁ 125 0.289 -135.963257 -126.217685 -124.717107 9.55 10.72

34E C_s 125 0.269 -206.153688[2] -135.656902 -126.205973 -124.748271 10.72 19.86

34F C_2v 124 0.013 -135.532334 -125.625477 -124.283737 19.86

35A C_s 147 -221.771452 -140.503355 4.05

35B C_3v 147 -221.293580 -141.106305 4.05 5.62

35C C₁ 133 3.975 -141.957188 -130.282153 -126.119817 5.62 8.08

35D C_2v 130 0.304 -141.402997 -131.274427 -129.699893 8.08 11.46

35E C_2v 130 0.279 -215.495670[2] -141.051852 -131.239157 -129.737360 11.46 19.59

35F C_3v 129 0.011 -140.132124 -130.533259 -129.265442 19.59

36A C_s 152 -230.508264 -144.827464 4.68

36B C₁ 152 -229.689435 -145.273702 4.68 5.07

36C C_s 138 4.351 -147.381965 -134.989116 5.07 9.51

36D C₁ 134 0.334 -145.984498 -135.312738 -133.656022 9.51 9.86

36E C_s 134 0.303 -145.732293 -135.315392 -133.706961 9.86 11.41

36F C_s 134 0.280 -222.900558[1] -145.378315 -135.281551 -133.744666 11.41 19.56

36G C_s 133 0.015 -145.649065 -134.766521 -133.308212 19.56

37A C_s 158 -240.008130 -149.765993 5.25

37B C₁ 142 4.352 -151.891203 -139.055858 -134.764790 5.25 7.62

37C C_2v 139 0.357 -151.435570 -140.360228 -138.622227 7.62 10.17

37D C_2v 139 0.306 -233.080175[3] -151.061897 -140.354330 -138.708582 10.17 18.49

37E C_3v 138 0.015 -151.100849 -139.837570 -138.320817 18.49

38A D₂ 164 30.138 -249.159174 -153.208710[3] -134.319674[3] 3.15

38B C₁ 163 27.962 -249.087740 -154.165069 -135.519468 -129.339213 3.15 4.70

38C C_s 163 -248.600369 -154.041575 4.70 4.76

38D O_h 144 0.013 -246.414723[4] -157.406902 -145.849817 -144.321054 4.76 5.40 6.95

38E C_5v 147 3.714 -157.477108 -144.756555 5.40 6.95

39A C_2v 169 -258.944962 -158.266473 4.48

39B C_5v 153 5.039 -163.481990 -149.455758 4.48 9.46

39C C_4v 148 0.014 -161.701728 -149.887173 -148.327400 9.46

40A C_s 174 -268.394773 -163.956596 4.51

40B C_s 157 5.040 -263.925318 -167.993097 -153.524033 -148.492778[1] 4.51 9.51

40C D_4h 152 0.014 -261.115599[3] -165.996196 -153.924517 -152.333745 9.51

41A C_2v 180 -278.405573 4.60

41B C_s 161 5.040 -273.699508[1] -172.526828 -157.593200 4.60 8.75

41C C_2v 157 0.435 -171.124667 -158.505557 -156.511959 8.75 9.60

41D C_s 157 0.368 -269.034859[4] -170.808262 -158.520688 -156.630647 9.60 11.06

41E C_2v 157 0.366 -267.688391[4] -170.758682 -158.518482 -156.633479 11.06 16.83

41F C_s 156 0.017 -170.902496 -158.066916 -156.359354 16.83

42A C_3v 186 -288.335415 -172.252388[1] 4.54

42B C_s 166 5.275 -282.296210[1] -177.680222 -162.365546 -157.124535 4.54 9.77

42C C_s 161 0.368 -175.184389 -162.565848 -160.638215 9.77 11.10

42D C_s 161 0.367 -175.135897 -162.563540 -160.641020 11.10 16.82

42E C_s 160 0.017 -175.405455 -162.133633 -160.371244 16.82

43A C_2v 192 -298.172449 -175.540353[2] 4.40

43B C_s 171 -290.632163[2] -183.092699 4.40 9.34

43C C_2v 166 0.443 -180.837781 -167.585928 -165.511347 9.34 9.57

43D C_2v 166 0.374 -288.301568[2] -180.515098 -167.602632 -165.634973 9.57 16.66

43E C₁ 165 0.017 -180.662511 -167.152124 -165.372773 16.66

44A C_5v 198 -308.277011 -179.032310[8] 4.38

44B C₁ 175 5.722 -302.003640 -187.626292 -171.071131 -165.689737 4.38 9.38

44C C_s 170 0.443 -185.214201 -171.631403 -169.519034 9.38 9.65

44D C_s 170 0.374 -300.113694[3] -184.841212 -171.645465 -169.642441 9.65 16.65

44E C₁ 169 0.020 -185.296321 -171.226450 -169.385406 16.65

45A I_h 204 -318.660653 -182.301077[24] 4.24

45B C₁ 180 5.965 -310.750385 -192.954739 -175.389424 -169.712668 4.24 7.10

45C' C₁ 180 5.674 -192.740413 -175.783156 -170.184752 7.10 9.04

45D C_2v 175 0.452 -190.548331 -176.665997 -174.510080 9.04 11.79

45E C_2v 175 0.451 -303.604189[3] -190.500098 -176.663202 -174.511633 11.79 15.03

45F C_s 174 0.018 -190.708793 -176.296327 -174.397893 15.03

46A C_s 207 -327.033118 3.96

46B C_2v 186 6.646 -320.118738[1] -199.177751 -181.236182 -174.605103[1] 3.96 10.46

46C C_s 179 0.452 -194.923850 -180.711434 -178.517769 10.46 11.79

46D C_s 179 0.451 -194.876995 -180.708654 -178.519320 11.79 14.96

46E' C_s 178 0.019 -195.418132 -180.403338 -178.417043 14.96

47A C₃ 210 40.212 -336.666189 -194.242255 -170.368382 4.03

47B C₁ 190 6.648 -331.591008 -203.704178 -185.301500 -178.621197 4.03 9.60

47C C_2v 184 0.461 -323.010894[6] -200.256505 -185.745782 -183.508227 9.60 14.86

47D C_s 183 0.019 -200.473614 -185.381591 -183.411312 14.86

48A C_2v 213 -346.662788 4.01

48B C_s 195 7.464 -340.395646[1] -209.044000 -189.5566723 -182.617917[1] 4.01 7.03

48B' C₁ 195 7.063 -208.839790 -189.897253 -182.808310 7.03 8.21

48C C_2v 190 0.808 -207.541529 -191.586299 -188.888965 8.21 20.22

48D' C_s 187 0.022 -205.658632 -189.556750 -187.442789 20.22

49A C_s 219 -356.412817 3.91

49B C_3v 201 7.770 -350.540378[1] -215.253702 -195.275059 -187.212009 3.91 9.70

49C C_s 194 0.808 -211.978083 -195.639320 -192.898412 9.70 16.14

49D C_3v 192 0.021 -211.117300 -194.627748 -192.455390 16.14

50A C_5v 224 -366.635589 4.04

50B C_s 205 7.770 -219.820229 -199.344795 -191.239955 4.04 8.85

50C C_s 199 0.809 -360.600022[2] -217.406110 -200.691615 -197.906988 8.85 10.50

50D D_3h 198 0.020 -217.432647 -200.640183 -198.455633 10.50

51A C₂ 232 -376.673413 -217.627962 3.74

51B C_2v 210 9.360 -373.932555[1] -225.391240 -202.911593 3.74 6.59

51C C_s 210 8.551 -374.031668[1] -225.236760 -203.643178 -195.286917 6.59 7.40

51C' C₁ 210 8.182 -224.958722 -203.946308 -195.262853 7.40 9.37

51D C_s 203 0.809 -221.842387 -204.744598 -201.916433 9.37 10.33

51E C_s 202 0.023 -222.080140 -204.714809 -202.468274 10.33

52A C_s 238 -387.587332 3.71

52B C_3v 216 9.618 -384.520749 -231.615013 -208.673261 -199.353198 3.71 6.61

52C C_2v 216 8.840 -231.443769 -209.379230 -199.715952 6.61 9.72

52D C_2v 208 0.809 -380.031663[3] -227.268275 -209.796728 -206.924957 9.72 10.15

52E C_2v 207 0.022 -227.500884 -209.784832 -207.480764 10.15

53A D_6d 244 -398.783184 3.70

53B C_2v 222 9.902 -395.150063 -237.834976 -214.409721 -203.180586[1] 3.70 10.30

53C C_s 211 0.025 -232.147467 -213.859451 -211.493405 10.30

54A C_s 248 -407.966010 -232.987285 3.41

54B C_5v 228 10.215 -405.831836 -244.058174 -220.118611 -208.329991 3.41 10.32

54C C_2v 217 0.465 -238.114592 -219.426691 -216.636864 10.32 15.10

54D C_2v 216 0.024 -237.568575 -218.929453 -216.505895 15.10

55A C₁ 252 -417.918562 3.25

55B I_h 234 10.543 -416.625645 -250.286609 -225.814286 -213.523774 3.25 11.15

55C C_2v 221 0.465 -242.622450 -223.482018 -220.646208 11.15 15.09

55D C_s 220 0.027 -242.211381 -223.003991 -220.518533 15.09

56A C_s 258 -428.611289 3.60

56B C_3v 237 10.545 -425.709433 -253.922955 -228.900154 -216.537609 3.60 10.18

56C C_2v 226 0.481 -248.167730 -228.552734 -225.633470 10.18 11.38

56D C_s 226 0.465 -248.051289 -228.533805 -225.655136 11.38 15.07

56E D_3h 225 0.026 -247.635625 -228.074040 -225.531024 15.07

57A D_3h 264 -439.960320 4.13

57B C_s 241 10.563 -436.124573[1] -258.041717 -232.877539 -220.502856 4.13 9.61

57C C_2v 231 0.465 -426.761701[3] -253.482114 -233.585699 -230.663986 9.61 21.83

57D C_s 229 0.028 -252.749395 -232.226794 -229.557450 21.83

58A C_s 267 -449.432282 -253.758845[1] 4.05

58B C_3v 246 10.585 -442.501104[1] -263.410755 -237.898423 -225.469489 4.05 9.53

58C D_3h 237 1.467 -260.086805 -238.658866 -234.809078 9.53 14.63

58D C₁ 235 0.465 -257.876211 -237.631296 -234.671473 14.63 14.94

58E C_3v 234 0.027 -258.241372 -237.298283 -234.569986 14.94

59A C_3v 267 -459.509280 -260.795085[1] 3.77

59B C_2v 272 -459.250400 -261.475383[2] 3.77 4.26

59C C₁ 250 10.832 -267.857802 -241.705877 -229.053528 4.26 4.86

7.93 9.09

59D C_2v 250 10.939 -453.109891[2] -267.945226 -241.627254 -228.849111 4.86 7.93

59E T_d 240 0.027 -264.710286 -243.330508 -240.572493 9.09

60A C_s 278 -470.448485 4.51

60B C_s 255 11.042 -273.341243 -246.579281 -233.702420 4.51 9.29

60C C_2v 246 1.470 -269.958055 -247.763712 -243.823553 9.29 9.85

60D C_s 245 0.540 -269.408035 -247.785988 -244.566234 9.85 11.00

60E C_2v 245 0.536 -269.292014 -247.781611 -244.572017 11.00 13.95

60F C_s 244 0.027 -269.050233 -247.370671 -244.579066 13.95

61A T_d 284 -482.025765 -271.692826 4.65

61B C_2v 260 11.174 -278.726626 -251.502374 -238.498558 4.65 9.42

61B' C_s 251 1.716 -274.637219 -252.488332 -248.363650 9.42 10.34

61C C_3v 249 0.027 -274.114496 -252.402685 -249.587740 10.34

62A C_s 293 -491.052378 -272.267523 4.00

62B C_s 264 11.707 -485.425587[3] -283.183002 -255.038209 -241.549494 4.00 6.33

62C C_2v 264 11.174 -283.102592 -255.558891 -242.509563 6.33 9.22

62D C_2v 255 1.473 -279.826688 -256.868159 -252.837765 9.22 9.64

62E C₁ 254 0.623 -279.851878 -256.899841 -253.442114 9.64 9.78

62F C_s 254 0.560 -279.460422 -256.908198 -253.554702 9.78 10.47

62G C₁ 254 0.526 -279.357773 -256.897318 -253.612942 10.47 14.14

62H C₁ 253 0.027 -278.499195 -256.445284 -253.594448 14.14

63A C_s 301 -501.731893 3.83

63B C₁ 269 11.880 -497.181562 -288.560948 -259.921304 -246.279386 3.83 8.87

63C C_s 259 0.533 495.356854[1] -285.141958 -262.030007 -258.620607 8.87 14.14

63D C_s 258 0.027 -283.876854 -261.487847 -258.601156 14.14

64A D_3d 307 -512.831683 3.85

64B C_s 274 12.066 -503.234962 -293.931716 -264.790492 -250.989419 3.85 8.22

64C C_2v 265 0.552 -501.818445[4] -291.412250 -268.023828 -264.587042 8.22 24.31

64D' C_s 262 0.032 -289.494274 -265.736569 -262.645793 24.31

65A C_s 310 -523.446427 3.86

65B C₁ 278 12.494 -298.321863 -268.406866 -254.407364 3.86 4.74

65C C₂ 278 12.574 -515.414573 -298.392345 -268.351634 -254.301092 4.74 6.32

65D C₁ 278 12.081 -298.317501 -268.836726 -254.984242 6.32 8.12

65E C_2v 269 0.603 -296.317862 -272.098786 -268.513581 8.12 10.53

65F C₁ 269 0.565 -296.027614 -272.083782 -268.578320 10.53 11.30

65G C₁ 269 0.552 -295.806729 -272.069820 -268.594702 11.30 19.71

65H C_s 267 0.027 -293.637761 -270.572952 -267.614569 19.71

66A C_s 314 -534.464040 3.82

66B C₁ 284 15.128 -530.516639 -303.512725 -271.712472 -256.391481 3.82 4.83

66C C₁ 283 12.758 -528.936842 -303.763297 -273.223079 -259.078765 4.83 7.83

66D C_s 274 0.640 -301.866029 -277.134660 -273.454381 7.83 9.74

66E C_s 274 0.573 -301.464889 -277.145223 -273.573502 9.74 11.50

66F C_s 274 0.552 -301.193166 -277.115736 -273.602343 11.50 24.31

66G C_s 271 0.033 -299.437330 -274.866840 -271.669464 24.31

67A C_s 318 -544.754257 -297.547886 3.80

67B C_s 289 15.345 -539.666842[2] -308.979846 -276.564507 3.80 5.46

67C C₂ 288 12.945 -538.179357[1] -309.130322 -278.090470 -263.853175 5.46 7.72

67D C_2v 279 0.677 -307.349356 -282.171568 -278.396059 7.72 11.36

67E C_2v 279 0.674 -307.234099 -282.166219 -278.400953 11.36 21.85

67F' C_s 276 0.033 -304.923474 -279.939481 -276.682280 21.85

68A C_s 324 -555.582496 3.68

68B C₁ 294 15.980 -551.451174 -314.374880 -281.011142 -265.753769 3.68 7.29

68C C_s 293 12.938 -549.985909[1] -314.146641 -281.905282 -267.100885 7.29 7.40

68D' C_3v 285 2.034 -312.216850 -286.643320 -281.809269 7.40 11.55

68G C_2v 283 0.552 -310.973538 -286.207609 -282.617642 11.55 13.46

68H C_3v 282 0.032 -311.238864 -285.954388 -282.683003 13.46

69A C₁ 329 -566.364140 -307.245602 3.65

69B C₁ 308 -560.639499 -318.205833 3.65 4.22

69C C_5v 298 14.909 -559.783221[1] -319.687802 -286.265131 4.22 5.22

69D C_s 299 16.223 -319.819905 -285.836885[1] 5.22 7.64

69E C_s 288 0.705 -317.396150 -291.284253 -287.366805 7.64 9.66

69F C₁ 288 0.653 -317.293147 -291.294050 -287.462110 9.66 18.06

69G C₁ 286 0.034 -315.861945 -290.031196 -286.695880 18.06

70A C_2v 335 -577.739782 3.22

70B C₁ 332 -577.286914 -313.362561 3.22 3.67

70C C₅ 314 -571.815209 -324.211871 3.67 4.16

70D C_5v 304 15.324 -570.747100 -325.887749 -291.872039 4.16 7.89

70E C_s 293 0.676 -323.082118 -296.412149 -292.439398 7.89 12.18

70F C₁ 293 0.659 -322.802226 -296.365659 -292.462856 12.18 17.96

70G C_s 291 0.035 -321.499078 -295.108247 -291.708765 17.96

71A C₁ 330 -588.396687 -316.491227 3.42

71B C₅ 320 -583.202864 -330.363241 3.42 4.28

71C C_5v 310 17.608 -581.944905[1] -331.588748 -295.611936[2] 4.28 7.29

71D C_2v 299 0.695 -329.356130 -302.405357 -298.405353 7.29 21.50

71E C_s 296 0.034 -326.944961 -300.178953 -296.721356 21.50

72A C₁ 335 -599.690310 -320.666142 3.40

72B C₁ 314 17.960 -595.064909 -335.877119 -299.300783 -283.195227 3.40 4.77

72C C_s 313 16.818 -592.641021 -336.121753 -299.750026 -283.664026 4.77 7.29

72D C₁ 303 0.713 -333.967611 -306.460206 -302.387256 7.29 10.53

72E C₁ 303 0.695 -333.804475 -306.453999 -302.413229 10.53 19.12

72E' C_s 303 0.695 -333.656125 -306.444758 -302.412270 19.12 21.49

72F C_s 300 0.038 -331.710111 -304.261423 -300.734505 21.49

73A C₃ 339 -610.936684 -324.743483 3.50

73B C_s 319 18.316 -603.873759[2] -341.266253 -304.026668 -287.806170 3.50 6.97

73C C_s 318 16.192 -602.726569[2] -340.979140 -305.189678 -289.451450 6.97 7.03

73D C_s 308 0.725 -339.404682 -311.517522 -307.374386 7.03 10.72

73E C_s 308 0.695 -339.241592 -311.502535 -307.421094 10.72 21.49

73F C₁ 305 0.037 -337.195061 -309.332640 -305.747113 21.49

74A C_3v 357 -622.679870 3.92

74B C_s 324 18.513 -614.020203[2] -346.610834 -308.886442 3.92 6.83

74C C_5v 313 0.699 -610.492247[3] -345.199617 -316.650760 -312.441302 6.83 21.38

74D C_s 310 0.036 -342.649207 -314.403461 -310.759707 21.38

75A C_s 364 -633.513370 3.70

75B C₁ 328 18.559 -630.521082 -351.177041 -312.987148 -296.598914 3.70 5.81

75C D_5h 319 0.718 -351.472365 -322.643558 -318.407330 5.81 21.14

75D C_s 316 0.035 -348.965031 -320.414355 -316.759660 21.14

76A C_s 370 -644.951602 3.56

76B C₁ 334 21.847 -642.129130 -355.970657 -315.525026 -298.048750 3.56 4.16

76C C₁ 333 19.297 -641.559041 -356.249587 -317.224994 -300.488549 4.16 4.40

76D C₁ 333 19.272 -639.714777 -356.372708 -317.247110 -300.338642 4.40 6.17

76E C_s 323 0.737 -356.085310 -326.697484 -322.386901 6.17 10.93

76F C_2v 323 0.718 -355.771608 -326.682964 -322.414257 10.93 21.14

76G C₁ 320 0.035 -353.408271 -324.459592 -320.766507 21.14

77A C₁ 368 -656.079789 -349.695795 3.68

77B C_s 339 22.562 -650.115580[2] -361.292679 -319.897701[2] 3.68 4.97

77C C₁ 338 19.477 -361.727086 -322.095213 -305.018458 4.97 6.12

77D C_2v 328 0.749 -361.520971 -331.753953 -327.371999 6.12 20.66

77E C_s 325 0.035 -358.839797 -329.504700 -325.773351 20.66

78A C₃ 384 -667.576295 3.54

78B C₁ 344 22.724 -664.005603 -366.727436 -324.814567 -307.287362 3.54 5.18

78C C₁ 344 22.651 -366.761455 -324.883480 -307.076218 5.18 5.57

78D' C_s 343 19.664 -367.0722648 -326.948693 -309.0431118189 5.57 6.59

78E C₁ 332 0.769 -366.132260 -335.806666 -331.349274 6.59 10.71

78F C_s 332 0.749 -650.435529[3] -365.871754 -335.796094 -331.379143 10.71 16.79

78G C₁ 330 0.037 -364.447522 -334.579848 -330.786061 16.79

79A C₁ 385 -678.940231 -358.579695 3.59

79B C_2v 348 19.381 -673.564685 -372.832290 -332.365043 3.59 6.53

79C C_2v 343 11.973 -372.465769 -335.139012 -320.222688 6.53 6.67

79D C_2v 337 0.783 -663.444178 -371.568226 -340.862137 -336.332369 6.67 11.06

79E C_s 337 0.752 -659.185953[3] -371.199420 -340.834084 -336.380124 11.06 11.48

79F D_3h 336 0.036 -661.623659[2] -370.982315 -340.653542 -336.798725 11.48

80A C₃ 387 -690.577890 3.53

80B C_s 354 21.858 -683.220844[2] -378.333471 -335.897891[1] 3.53 6.36

80C C₁ 348 12.120 -377.972497 -340.072278 -324.944256 6.36 7.34

80D C₁ 341 0.806 -674.292236 -376.175628 -344.911381 -340.304108 7.34 10.44

80E C_s 341 0.783 -375.919374 -344.904384 -340.339544 10.44 11.02

80F C_s 341 0.752 -668.581802[4] -375.572469 -344.877983 -340.387336 11.02 11.36

80G C_s 340 0.040 -375.635945 -344.728294 -340.811371 11.36

147A C₁ 729 97.629 -1531.498857 -732.549202 -637.693266 -605.599981 3.56

147B I_h 696 26.896 -1509.271850 -760.631007 -678.170632 -644.001641 3.56 9.12

147C C_s 674 1.514 -748.868644 -682.398955 -672.885145 9.12 10.91

147D C_s 674 1.495 -748.598130 -682.385832 -672.911144 10.91 18.88

147E C_3v 669 0.084 -1468.423110[8] -744.765272 -678.961901 -670.708293 18.88

Return to The Cambridge Cluster Database.