C94 Isomers
Click on the image for the .xyz coordinate file.
./C94/C94-C2-1.png ./C94/C94-C1-2.png ./C94/C94-C2-3.png ./C94/C94-C2-4.png ./C94/C94-C1-5.png ./C94/C94-C1-6.png ./C94/C94-C2-7.png ./C94/C94-C1-8.png
C94 (C2) #1

Total strain energy
(continuum elasticity)=34.927 eV

C94 (C1) #2

Total strain energy
(continuum elasticity)=34.360 eV

C94 (C2) #3

Total strain energy
(continuum elasticity)=32.775 eV

C94 (C2) #4

Total strain energy
(continuum elasticity)=33.672 eV

C94 (C1) #5

Total strain energy
(continuum elasticity)=32.666 eV

C94 (C1) #6

Total strain energy
(continuum elasticity)=33.817 eV

C94 (C2) #7

Total strain energy
(continuum elasticity)=33.081 eV

C94 (C1) #8

Total strain energy
(continuum elasticity)=31.837 eV

./C94/C94-C2-9.png ./C94/C94-C1-10.png ./C94/C94-C1-11.png ./C94/C94-C1-12.png ./C94/C94-Cs-13.png ./C94/C94-Cs-14.png ./C94/C94-C1-15.png ./C94/C94-C1-16.png
C94 (C2) #9

Total strain energy
(continuum elasticity)=32.822 eV

C94 (C1) #10

Total strain energy
(continuum elasticity)=32.664 eV

C94 (C1) #11

Total strain energy
(continuum elasticity)=31.626 eV

C94 (C1) #12

Total strain energy
(continuum elasticity)=31.337 eV

C94 (Cs) #13

Total strain energy
(continuum elasticity)=33.253 eV

C94 (Cs) #14

Total strain energy
(continuum elasticity)=32.981 eV

C94 (C1) #15

Total strain energy
(continuum elasticity)=31.418 eV

C94 (C1) #16

Total strain energy
(continuum elasticity)=31.537 eV

./C94/C94-Cs-17.png ./C94/C94-Cs-18.png ./C94/C94-C1-19.png ./C94/C94-C2-20.png ./C94/C94-C1-21.png ./C94/C94-C2-22.png ./C94/C94-Cs-23.png ./C94/C94-C2v-24.png
C94 (Cs) #17

Total strain energy
(continuum elasticity)=32.930 eV

C94 (Cs) #18

Total strain energy
(continuum elasticity)=30.965 eV

C94 (C1) #19

Total strain energy
(continuum elasticity)=31.834 eV

C94 (C2) #20

Total strain energy
(continuum elasticity)=30.831 eV

C94 (C1) #21

Total strain energy
(continuum elasticity)=31.821 eV

C94 (C2) #22

Total strain energy
(continuum elasticity)=32.045 eV

C94 (Cs) #23

Total strain energy
(continuum elasticity)=32.344 eV

C94 (C2v) #24

Total strain energy
(continuum elasticity)=32.147 eV

./C94/C94-C1-25.png ./C94/C94-C2-26.png ./C94/C94-C1-27.png ./C94/C94-C1-28.png ./C94/C94-C1-29.png ./C94/C94-C1-30.png ./C94/C94-Cs-31.png ./C94/C94-C1-32.png
C94 (C1) #25

Total strain energy
(continuum elasticity)=33.705 eV

C94 (C2) #26

Total strain energy
(continuum elasticity)=35.457 eV

C94 (C1) #27

Total strain energy
(continuum elasticity)=33.936 eV

C94 (C1) #28

Total strain energy
(continuum elasticity)=34.202 eV

C94 (C1) #29

Total strain energy
(continuum elasticity)=32.738 eV

C94 (C1) #30

Total strain energy
(continuum elasticity)=35.484 eV

C94 (Cs) #31

Total strain energy
(continuum elasticity)=31.490 eV

C94 (C1) #32

Total strain energy
(continuum elasticity)=32.492 eV

./C94/C94-C2-33.png ./C94/C94-C1-34.png ./C94/C94-C1-35.png ./C94/C94-C1-36.png ./C94/C94-C1-37.png ./C94/C94-C1-38.png ./C94/C94-Cs-39.png ./C94/C94-Cs-40.png
C94 (C2) #33

Total strain energy
(continuum elasticity)=30.982 eV

C94 (C1) #34

Total strain energy
(continuum elasticity)=31.117 eV

C94 (C1) #35

Total strain energy
(continuum elasticity)=32.225 eV

C94 (C1) #36

Total strain energy
(continuum elasticity)=31.006 eV

C94 (C1) #37

Total strain energy
(continuum elasticity)=32.178 eV

C94 (C1) #38

Total strain energy
(continuum elasticity)=34.756 eV

C94 (Cs) #39

Total strain energy
(continuum elasticity)=31.722 eV

C94 (Cs) #40

Total strain energy
(continuum elasticity)=33.744 eV

./C94/C94-C1-41.png ./C94/C94-Cs-42.png ./C94/C94-C2-43.png ./C94/C94-Cs-44.png ./C94/C94-Cs-45.png ./C94/C94-Cs-46.png ./C94/C94-C2-47.png ./C94/C94-C1-48.png
C94 (C1) #41

Total strain energy
(continuum elasticity)=33.337 eV

C94 (Cs) #42

Total strain energy
(continuum elasticity)=31.634 eV

C94 (C2) #43

Total strain energy
(continuum elasticity)=31.153 eV

C94 (Cs) #44

Total strain energy
(continuum elasticity)=31.587 eV

C94 (Cs) #45

Total strain energy
(continuum elasticity)=31.485 eV

C94 (Cs) #46

Total strain energy
(continuum elasticity)=35.864 eV

C94 (C2) #47

Total strain energy
(continuum elasticity)=31.547 eV

C94 (C1) #48

Total strain energy
(continuum elasticity)=32.768 eV

./C94/C94-C1-49.png ./C94/C94-C1-50.png ./C94/C94-C2-51.png ./C94/C94-C2v-52.png ./C94/C94-C1-53.png ./C94/C94-C1-54.png ./C94/C94-C1-55.png ./C94/C94-C1-56.png
C94 (C1) #49

Total strain energy
(continuum elasticity)=31.584 eV

C94 (C1) #50

Total strain energy
(continuum elasticity)=32.569 eV

C94 (C2) #51

Total strain energy
(continuum elasticity)=30.906 eV

C94 (C2v) #52

Total strain energy
(continuum elasticity)=33.242 eV

C94 (C1) #53

Total strain energy
(continuum elasticity)=32.767 eV

C94 (C1) #54

Total strain energy
(continuum elasticity)=30.818 eV

C94 (C1) #55

Total strain energy
(continuum elasticity)=32.382 eV

C94 (C1) #56

Total strain energy
(continuum elasticity)=31.099 eV

./C94/C94-C1-57.png ./C94/C94-C1-58.png ./C94/C94-C1-59.png ./C94/C94-C1-60.png ./C94/C94-C2-61.png ./C94/C94-C1-62.png ./C94/C94-C1-63.png ./C94/C94-C1-64.png
C94 (C1) #57

Total strain energy
(continuum elasticity)=30.892 eV

C94 (C1) #58

Total strain energy
(continuum elasticity)=33.338 eV

C94 (C1) #59

Total strain energy
(continuum elasticity)=31.157 eV

C94 (C1) #60

Total strain energy
(continuum elasticity)=32.172 eV

C94 (C2) #61

Total strain energy
(continuum elasticity)=31.592 eV

C94 (C1) #62

Total strain energy
(continuum elasticity)=31.644 eV

C94 (C1) #63

Total strain energy
(continuum elasticity)=32.586 eV

C94 (C1) #64

Total strain energy
(continuum elasticity)=32.132 eV

./C94/C94-C1-65.png ./C94/C94-C1-66.png ./C94/C94-C1-67.png ./C94/C94-C1-68.png ./C94/C94-C1-69.png ./C94/C94-C1-70.png ./C94/C94-C1-71.png ./C94/C94-C1-72.png
C94 (C1) #65

Total strain energy
(continuum elasticity)=31.184 eV

C94 (C1) #66

Total strain energy
(continuum elasticity)=32.173 eV

C94 (C1) #67

Total strain energy
(continuum elasticity)=31.812 eV

C94 (C1) #68

Total strain energy
(continuum elasticity)=31.741 eV

C94 (C1) #69

Total strain energy
(continuum elasticity)=31.690 eV

C94 (C1) #70

Total strain energy
(continuum elasticity)=32.733 eV

C94 (C1) #71

Total strain energy
(continuum elasticity)=32.380 eV

C94 (C1) #72

Total strain energy
(continuum elasticity)=30.956 eV

./C94/C94-C2-73.png ./C94/C94-C1-74.png ./C94/C94-C1-75.png ./C94/C94-C1-76.png ./C94/C94-C1-77.png ./C94/C94-C1-78.png ./C94/C94-C1-79.png ./C94/C94-C1-80.png
C94 (C2) #73

Total strain energy
(continuum elasticity)=31.366 eV

C94 (C1) #74

Total strain energy
(continuum elasticity)=31.092 eV

C94 (C1) #75

Total strain energy
(continuum elasticity)=30.981 eV

C94 (C1) #76

Total strain energy
(continuum elasticity)=31.678 eV

C94 (C1) #77

Total strain energy
(continuum elasticity)=31.757 eV

C94 (C1) #78

Total strain energy
(continuum elasticity)=31.740 eV

C94 (C1) #79

Total strain energy
(continuum elasticity)=31.751 eV

C94 (C1) #80

Total strain energy
(continuum elasticity)=31.574 eV

./C94/C94-C1-81.png ./C94/C94-C1-82.png ./C94/C94-C1-83.png ./C94/C94-C1-84.png ./C94/C94-C1-85.png ./C94/C94-C2-86.png ./C94/C94-C1-87.png ./C94/C94-C1-88.png
C94 (C1) #81

Total strain energy
(continuum elasticity)=31.655 eV

C94 (C1) #82

Total strain energy
(continuum elasticity)=31.592 eV

C94 (C1) #83

Total strain energy
(continuum elasticity)=32.171 eV

C94 (C1) #84

Total strain energy
(continuum elasticity)=33.157 eV

C94 (C1) #85

Total strain energy
(continuum elasticity)=32.127 eV

C94 (C2) #86

Total strain energy
(continuum elasticity)=32.550 eV

C94 (C1) #87

Total strain energy
(continuum elasticity)=31.634 eV

C94 (C1) #88

Total strain energy
(continuum elasticity)=32.793 eV

./C94/C94-C2-89.png ./C94/C94-C1-90.png ./C94/C94-C1-91.png ./C94/C94-C1-92.png ./C94/C94-C1-93.png ./C94/C94-C2-94.png ./C94/C94-C1-95.png ./C94/C94-C3-96.png
C94 (C2) #89

Total strain energy
(continuum elasticity)=32.855 eV

C94 (C1) #90

Total strain energy
(continuum elasticity)=31.674 eV

C94 (C1) #91

Total strain energy
(continuum elasticity)=31.068 eV

C94 (C1) #92

Total strain energy
(continuum elasticity)=31.109 eV

C94 (C1) #93

Total strain energy
(continuum elasticity)=32.300 eV

C94 (C2) #94

Total strain energy
(continuum elasticity)=31.678 eV

C94 (C1) #95

Total strain energy
(continuum elasticity)=31.061 eV

C94 (C3) #96

Total strain energy
(continuum elasticity)=31.249 eV

./C94/C94-C1-97.png ./C94/C94-C1-98.png ./C94/C94-C1-99.png ./C94/C94-C1-100.png ./C94/C94-C1-101.png ./C94/C94-C1-102.png ./C94/C94-C1-103.png ./C94/C94-C1-104.png
C94 (C1) #97

Total strain energy
(continuum elasticity)=31.131 eV

C94 (C1) #98

Total strain energy
(continuum elasticity)=31.091 eV

C94 (C1) #99

Total strain energy
(continuum elasticity)=31.174 eV

C94 (C1) #100

Total strain energy
(continuum elasticity)=32.248 eV

C94 (C1) #101

Total strain energy
(continuum elasticity)=31.152 eV

C94 (C1) #102

Total strain energy
(continuum elasticity)=31.093 eV

C94 (C1) #103

Total strain energy
(continuum elasticity)=31.686 eV

C94 (C1) #104

Total strain energy
(continuum elasticity)=31.866 eV

./C94/C94-C1-105.png ./C94/C94-C1-106.png ./C94/C94-C2-107.png ./C94/C94-C2-108.png ./C94/C94-C2-109.png ./C94/C94-C3-110.png ./C94/C94-C1-111.png ./C94/C94-C1-112.png
C94 (C1) #105

Total strain energy
(continuum elasticity)=31.855 eV

C94 (C1) #106

Total strain energy
(continuum elasticity)=32.918 eV

C94 (C2) #107

Total strain energy
(continuum elasticity)=32.939 eV

C94 (C2) #108

Total strain energy
(continuum elasticity)=32.790 eV

C94 (C2) #109

Total strain energy
(continuum elasticity)=32.798 eV

C94 (C3) #110

Total strain energy
(continuum elasticity)=31.093 eV

C94 (C1) #111

Total strain energy
(continuum elasticity)=31.671 eV

C94 (C1) #112

Total strain energy
(continuum elasticity)=30.939 eV

./C94/C94-C1-113.png ./C94/C94-C3-114.png ./C94/C94-C1-115.png ./C94/C94-C1-116.png ./C94/C94-C2-117.png ./C94/C94-C1-118.png ./C94/C94-C1-119.png ./C94/C94-Cs-120.png
C94 (C1) #113

Total strain energy
(continuum elasticity)=32.151 eV

C94 (C3) #114

Total strain energy
(continuum elasticity)=32.532 eV

C94 (C1) #115

Total strain energy
(continuum elasticity)=30.630 eV

C94 (C1) #116

Total strain energy
(continuum elasticity)=31.188 eV

C94 (C2) #117

Total strain energy
(continuum elasticity)=30.493 eV

C94 (C1) #118

Total strain energy
(continuum elasticity)=30.514 eV

C94 (C1) #119

Total strain energy
(continuum elasticity)=30.704 eV

C94 (Cs) #120

Total strain energy
(continuum elasticity)=30.442 eV

./C94/C94-C2-121.png ./C94/C94-C1-122.png ./C94/C94-C1-123.png ./C94/C94-C2-124.png ./C94/C94-C1-125.png ./C94/C94-C2-126.png ./C94/C94-C1-127.png ./C94/C94-C1-128.png
C94 (C2) #121

Total strain energy
(continuum elasticity)=30.527 eV

C94 (C1) #122

Total strain energy
(continuum elasticity)=30.567 eV

C94 (C1) #123

Total strain energy
(continuum elasticity)=30.991 eV

C94 (C2) #124

Total strain energy
(continuum elasticity)=30.481 eV

C94 (C1) #125

Total strain energy
(continuum elasticity)=30.588 eV

C94 (C2) #126

Total strain energy
(continuum elasticity)=30.571 eV

C94 (C1) #127

Total strain energy
(continuum elasticity)=31.187 eV

C94 (C1) #128

Total strain energy
(continuum elasticity)=30.574 eV

./C94/C94-C1-129.png ./C94/C94-C2-130.png ./C94/C94-C1-131.png ./C94/C94-C1-132.png ./C94/C94-C2-133.png ./C94/C94-C3v-134.png
C94 (C1) #129

Total strain energy
(continuum elasticity)=30.612 eV

C94 (C2) #130

Total strain energy
(continuum elasticity)=30.518 eV

C94 (C1) #131

Total strain energy
(continuum elasticity)=31.009 eV

C94 (C1) #132

Total strain energy
(continuum elasticity)=30.409 eV

C94 (C2) #133

Total strain energy
(continuum elasticity)=30.667 eV

C94 (C3v) #134

Total strain energy
(continuum elasticity)=30.792 eV


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