C44 Isomers
Click on the image for the .xyz coordinate file.
./C44/C44-C2-1.png ./C44/C44-D2-2.png ./C44/C44-D3d-3.png ./C44/C44-C2-4.png ./C44/C44-C2-5.png ./C44/C44-C2-6.png ./C44/C44-C1-7.png ./C44/C44-C1-8.png
C44 (C2) #1

Total strain energy
(continuum elasticity)=32.325 eV

C44 (D2) #2

Total strain energy
(continuum elasticity)=33.484 eV

C44 (D3d) #3

Total strain energy
(continuum elasticity)=32.980 eV

C44 (C2) #4

Total strain energy
(continuum elasticity)=31.217 eV

C44 (C2) #5

Total strain energy
(continuum elasticity)=30.497 eV

C44 (C2) #6

Total strain energy
(continuum elasticity)=30.495 eV

C44 (C1) #7

Total strain energy
(continuum elasticity)=30.676 eV

C44 (C1) #8

Total strain energy
(continuum elasticity)=29.507 eV

./C44/C44-C1-9.png ./C44/C44-C1-10.png ./C44/C44-Cs-11.png ./C44/C44-C2-12.png ./C44/C44-C2v-13.png ./C44/C44-C2-14.png ./C44/C44-C1-15.png ./C44/C44-C1-16.png
C44 (C1) #9

Total strain energy
(continuum elasticity)=32.444 eV

C44 (C1) #10

Total strain energy
(continuum elasticity)=27.521 eV

C44 (Cs) #11

Total strain energy
(continuum elasticity)=31.866 eV

C44 (C2) #12

Total strain energy
(continuum elasticity)=32.415 eV

C44 (C2v) #13

Total strain energy
(continuum elasticity)=31.147 eV

C44 (C2) #14

Total strain energy
(continuum elasticity)=31.794 eV

C44 (C1) #15

Total strain energy
(continuum elasticity)=29.564 eV

C44 (C1) #16

Total strain energy
(continuum elasticity)=29.733 eV

./C44/C44-C1-17.png ./C44/C44-C1-18.png ./C44/C44-C1-19.png ./C44/C44-C2-20.png ./C44/C44-C1-21.png ./C44/C44-C1-22.png ./C44/C44-C1-23.png ./C44/C44-D2-24.png
C44 (C1) #17

Total strain energy
(continuum elasticity)=31.637 eV

C44 (C1) #18

Total strain energy
(continuum elasticity)=29.827 eV

C44 (C1) #19

Total strain energy
(continuum elasticity)=29.529 eV

C44 (C2) #20

Total strain energy
(continuum elasticity)=29.812 eV

C44 (C1) #21

Total strain energy
(continuum elasticity)=30.384 eV

C44 (C1) #22

Total strain energy
(continuum elasticity)=28.332 eV

C44 (C1) #23

Total strain energy
(continuum elasticity)=29.522 eV

C44 (D2) #24

Total strain energy
(continuum elasticity)=29.638 eV

./C44/C44-C1-25.png ./C44/C44-C1-26.png ./C44/C44-C1-27.png ./C44/C44-Cs-28.png ./C44/C44-C1-29.png ./C44/C44-C1-30.png ./C44/C44-C1-31.png ./C44/C44-C2-32.png
C44 (C1) #25

Total strain energy
(continuum elasticity)=28.693 eV

C44 (C1) #26

Total strain energy
(continuum elasticity)=29.877 eV

C44 (C1) #27

Total strain energy
(continuum elasticity)=29.777 eV

C44 (Cs) #28

Total strain energy
(continuum elasticity)=28.487 eV

C44 (C1) #29

Total strain energy
(continuum elasticity)=28.127 eV

C44 (C1) #30

Total strain energy
(continuum elasticity)=28.442 eV

C44 (C1) #31

Total strain energy
(continuum elasticity)=29.712 eV

C44 (C2) #32

Total strain energy
(continuum elasticity)=27.617 eV

./C44/C44-Cs-33.png ./C44/C44-C2-34.png ./C44/C44-D3-35.png ./C44/C44-C2-36.png ./C44/C44-D3h-37.png ./C44/C44-D3d-38.png ./C44/C44-C2v-39.png ./C44/C44-C1-40.png
C44 (Cs) #33

Total strain energy
(continuum elasticity)=29.494 eV

C44 (C2) #34

Total strain energy
(continuum elasticity)=30.900 eV

C44 (D3) #35

Total strain energy
(continuum elasticity)=32.587 eV

C44 (C2) #36

Total strain energy
(continuum elasticity)=28.146 eV

C44 (D3h) #37

Total strain energy
(continuum elasticity)=28.790 eV

C44 (D3d) #38

Total strain energy
(continuum elasticity)=28.507 eV

C44 (C2v) #39

Total strain energy
(continuum elasticity)=27.836 eV

C44 (C1) #40

Total strain energy
(continuum elasticity)=28.507 eV

./C44/C44-C1-41.png ./C44/C44-C1-42.png ./C44/C44-C1-43.png ./C44/C44-C2-44.png ./C44/C44-C2-45.png ./C44/C44-C2-46.png ./C44/C44-C1-47.png ./C44/C44-C1-48.png
C44 (C1) #41

Total strain energy
(continuum elasticity)=30.114 eV

C44 (C1) #42

Total strain energy
(continuum elasticity)=28.936 eV

C44 (C1) #43

Total strain energy
(continuum elasticity)=29.623 eV

C44 (C2) #44

Total strain energy
(continuum elasticity)=28.939 eV

C44 (C2) #45

Total strain energy
(continuum elasticity)=28.993 eV

C44 (C2) #46

Total strain energy
(continuum elasticity)=30.116 eV

C44 (C1) #47

Total strain energy
(continuum elasticity)=27.529 eV

C44 (C1) #48

Total strain energy
(continuum elasticity)=30.044 eV

./C44/C44-C2-49.png ./C44/C44-C1-50.png ./C44/C44-C1-51.png ./C44/C44-C1-52.png ./C44/C44-C1-53.png ./C44/C44-Cs-54.png ./C44/C44-C2v-55.png ./C44/C44-C1-56.png
C44 (C2) #49

Total strain energy
(continuum elasticity)=28.281 eV

C44 (C1) #50

Total strain energy
(continuum elasticity)=29.199 eV

C44 (C1) #51

Total strain energy
(continuum elasticity)=27.939 eV

C44 (C1) #52

Total strain energy
(continuum elasticity)=26.577 eV

C44 (C1) #53

Total strain energy
(continuum elasticity)=30.367 eV

C44 (Cs) #54

Total strain energy
(continuum elasticity)=28.172 eV

C44 (C2v) #55

Total strain energy
(continuum elasticity)=26.939 eV

C44 (C1) #56

Total strain energy
(continuum elasticity)=27.933 eV

./C44/C44-C1-57.png ./C44/C44-C1-58.png ./C44/C44-C1-59.png ./C44/C44-C1-60.png ./C44/C44-C2-61.png ./C44/C44-C1-62.png ./C44/C44-C1-63.png ./C44/C44-C1-64.png
C44 (C1) #57

Total strain energy
(continuum elasticity)=27.676 eV

C44 (C1) #58

Total strain energy
(continuum elasticity)=29.478 eV

C44 (C1) #59

Total strain energy
(continuum elasticity)=27.705 eV

C44 (C1) #60

Total strain energy
(continuum elasticity)=28.500 eV

C44 (C2) #61

Total strain energy
(continuum elasticity)=29.050 eV

C44 (C1) #62

Total strain energy
(continuum elasticity)=28.547 eV

C44 (C1) #63

Total strain energy
(continuum elasticity)=28.585 eV

C44 (C1) #64

Total strain energy
(continuum elasticity)=28.739 eV

./C44/C44-C1-65.png ./C44/C44-C2-66.png ./C44/C44-C1-67.png ./C44/C44-C2-68.png ./C44/C44-C1-69.png ./C44/C44-Cs-70.png ./C44/C44-Cs-71.png ./C44/C44-D3h-72.png
C44 (C1) #65

Total strain energy
(continuum elasticity)=28.893 eV

C44 (C2) #66

Total strain energy
(continuum elasticity)=32.894 eV

C44 (C1) #67

Total strain energy
(continuum elasticity)=27.519 eV

C44 (C2) #68

Total strain energy
(continuum elasticity)=27.535 eV

C44 (C1) #69

Total strain energy
(continuum elasticity)=26.469 eV

C44 (Cs) #70

Total strain energy
(continuum elasticity)=27.335 eV

C44 (Cs) #71

Total strain energy
(continuum elasticity)=29.562 eV

C44 (D3h) #72

Total strain energy
(continuum elasticity)=26.287 eV

./C44/C44-T-73.png ./C44/C44-C2-74.png ./C44/C44-D2-75.png ./C44/C44-C2-76.png ./C44/C44-C1-77.png ./C44/C44-C1-78.png ./C44/C44-C2-79.png ./C44/C44-D3-80.png
C44 (T) #73

Total strain energy
(continuum elasticity)=29.641 eV

C44 (C2) #74

Total strain energy
(continuum elasticity)=27.414 eV

C44 (D2) #75

Total strain energy
(continuum elasticity)=25.658 eV

C44 (C2) #76

Total strain energy
(continuum elasticity)=28.484 eV

C44 (C1) #77

Total strain energy
(continuum elasticity)=26.730 eV

C44 (C1) #78

Total strain energy
(continuum elasticity)=26.445 eV

C44 (C2) #79

Total strain energy
(continuum elasticity)=27.884 eV

C44 (D3) #80

Total strain energy
(continuum elasticity)=26.633 eV

./C44/C44-C2-81.png ./C44/C44-S4-82.png ./C44/C44-D2-83.png ./C44/C44-Cs-84.png ./C44/C44-D2-85.png ./C44/C44-D3d-86.png ./C44/C44-C2-87.png ./C44/C44-C1-88.png
C44 (C2) #81

Total strain energy
(continuum elasticity)=29.970 eV

C44 (S4) #82

Total strain energy
(continuum elasticity)=27.527 eV

C44 (D2) #83

Total strain energy
(continuum elasticity)=28.084 eV

C44 (Cs) #84

Total strain energy
(continuum elasticity)=28.179 eV

C44 (D2) #85

Total strain energy
(continuum elasticity)=31.707 eV

C44 (D3d) #86

Total strain energy
(continuum elasticity)=31.840 eV

C44 (C2) #87

Total strain energy
(continuum elasticity)=26.492 eV

C44 (C1) #88

Total strain energy
(continuum elasticity)=26.462 eV

./C44/C44-D2-89.png
C44 (D2) #89

Total strain energy
(continuum elasticity)=25.831 eV


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