C96 Isomers
Click on the image for the .xyz coordinate file.
./C96/C96-D2-1.png ./C96/C96-D3-2.png ./C96/C96-D3d-3.png ./C96/C96-C2-4.png ./C96/C96-C1-5.png ./C96/C96-C2-6.png ./C96/C96-C1-7.png ./C96/C96-Cs-8.png
C96 (D2) #1

Total strain energy
(continuum elasticity)=34.321 eV

C96 (D3) #2

Total strain energy
(continuum elasticity)=33.896 eV

C96 (D3d) #3

Total strain energy
(continuum elasticity)=33.754 eV

C96 (C2) #4

Total strain energy
(continuum elasticity)=34.905 eV

C96 (C1) #5

Total strain energy
(continuum elasticity)=33.593 eV

C96 (C2) #6

Total strain energy
(continuum elasticity)=33.854 eV

C96 (C1) #7

Total strain energy
(continuum elasticity)=33.703 eV

C96 (Cs) #8

Total strain energy
(continuum elasticity)=35.158 eV

./C96/C96-C2-9.png ./C96/C96-Cs-10.png ./C96/C96-Cs-11.png ./C96/C96-C1-12.png ./C96/C96-C2-13.png ./C96/C96-C2-14.png ./C96/C96-C2-15.png ./C96/C96-C1-16.png
C96 (C2) #9

Total strain energy
(continuum elasticity)=32.711 eV

C96 (Cs) #10

Total strain energy
(continuum elasticity)=32.339 eV

C96 (Cs) #11

Total strain energy
(continuum elasticity)=34.151 eV

C96 (C1) #12

Total strain energy
(continuum elasticity)=32.028 eV

C96 (C2) #13

Total strain energy
(continuum elasticity)=32.943 eV

C96 (C2) #14

Total strain energy
(continuum elasticity)=32.274 eV

C96 (C2) #15

Total strain energy
(continuum elasticity)=31.861 eV

C96 (C1) #16

Total strain energy
(continuum elasticity)=32.885 eV

./C96/C96-C1-17.png ./C96/C96-C1-18.png ./C96/C96-C1-19.png ./C96/C96-C1-20.png ./C96/C96-D2-21.png ./C96/C96-C1-22.png ./C96/C96-C1-23.png ./C96/C96-C1-24.png
C96 (C1) #17

Total strain energy
(continuum elasticity)=32.455 eV

C96 (C1) #18

Total strain energy
(continuum elasticity)=32.183 eV

C96 (C1) #19

Total strain energy
(continuum elasticity)=33.158 eV

C96 (C1) #20

Total strain energy
(continuum elasticity)=32.393 eV

C96 (D2) #21

Total strain energy
(continuum elasticity)=35.509 eV

C96 (C1) #22

Total strain energy
(continuum elasticity)=34.917 eV

C96 (C1) #23

Total strain energy
(continuum elasticity)=32.985 eV

C96 (C1) #24

Total strain energy
(continuum elasticity)=34.311 eV

./C96/C96-C1-25.png ./C96/C96-C1-26.png ./C96/C96-C1-27.png ./C96/C96-C1-28.png ./C96/C96-C1-29.png ./C96/C96-C2-30.png ./C96/C96-C2-31.png ./C96/C96-C1-32.png
C96 (C1) #25

Total strain energy
(continuum elasticity)=33.555 eV

C96 (C1) #26

Total strain energy
(continuum elasticity)=32.762 eV

C96 (C1) #27

Total strain energy
(continuum elasticity)=33.673 eV

C96 (C1) #28

Total strain energy
(continuum elasticity)=34.767 eV

C96 (C1) #29

Total strain energy
(continuum elasticity)=33.212 eV

C96 (C2) #30

Total strain energy
(continuum elasticity)=36.182 eV

C96 (C2) #31

Total strain energy
(continuum elasticity)=34.267 eV

C96 (C1) #32

Total strain energy
(continuum elasticity)=35.448 eV

./C96/C96-D3h-33.png ./C96/C96-C1-34.png ./C96/C96-C1-35.png ./C96/C96-C1-36.png ./C96/C96-C1-37.png ./C96/C96-C1-38.png ./C96/C96-C1-39.png ./C96/C96-C2-40.png
C96 (D3h) #33

Total strain energy
(continuum elasticity)=40.755 eV

C96 (C1) #34

Total strain energy
(continuum elasticity)=32.500 eV

C96 (C1) #35

Total strain energy
(continuum elasticity)=32.133 eV

C96 (C1) #36

Total strain energy
(continuum elasticity)=32.084 eV

C96 (C1) #37

Total strain energy
(continuum elasticity)=32.336 eV

C96 (C1) #38

Total strain energy
(continuum elasticity)=32.954 eV

C96 (C1) #39

Total strain energy
(continuum elasticity)=34.588 eV

C96 (C2) #40

Total strain energy
(continuum elasticity)=33.328 eV

./C96/C96-C2-41.png ./C96/C96-C2-42.png ./C96/C96-C1-43.png ./C96/C96-C1-44.png ./C96/C96-C1-45.png ./C96/C96-C2-46.png ./C96/C96-C1-47.png ./C96/C96-C2-48.png
C96 (C2) #41

Total strain energy
(continuum elasticity)=33.215 eV

C96 (C2) #42

Total strain energy
(continuum elasticity)=32.781 eV

C96 (C1) #43

Total strain energy
(continuum elasticity)=32.381 eV

C96 (C1) #44

Total strain energy
(continuum elasticity)=32.068 eV

C96 (C1) #45

Total strain energy
(continuum elasticity)=32.347 eV

C96 (C2) #46

Total strain energy
(continuum elasticity)=31.415 eV

C96 (C1) #47

Total strain energy
(continuum elasticity)=31.920 eV

C96 (C2) #48

Total strain energy
(continuum elasticity)=35.657 eV

./C96/C96-C1-49.png ./C96/C96-Cs-50.png ./C96/C96-C1-51.png ./C96/C96-C2-52.png ./C96/C96-C1-53.png ./C96/C96-C1-54.png ./C96/C96-C2-55.png ./C96/C96-C1-56.png
C96 (C1) #49

Total strain energy
(continuum elasticity)=32.880 eV

C96 (Cs) #50

Total strain energy
(continuum elasticity)=33.063 eV

C96 (C1) #51

Total strain energy
(continuum elasticity)=32.509 eV

C96 (C2) #52

Total strain energy
(continuum elasticity)=33.026 eV

C96 (C1) #53

Total strain energy
(continuum elasticity)=31.781 eV

C96 (C1) #54

Total strain energy
(continuum elasticity)=32.887 eV

C96 (C2) #55

Total strain energy
(continuum elasticity)=31.106 eV

C96 (C1) #56

Total strain energy
(continuum elasticity)=31.829 eV

./C96/C96-C1-57.png ./C96/C96-C1-58.png ./C96/C96-C1-59.png ./C96/C96-C1-60.png ./C96/C96-C1-61.png ./C96/C96-C1-62.png ./C96/C96-C1-63.png ./C96/C96-C1-64.png
C96 (C1) #57

Total strain energy
(continuum elasticity)=31.222 eV

C96 (C1) #58

Total strain energy
(continuum elasticity)=31.215 eV

C96 (C1) #59

Total strain energy
(continuum elasticity)=31.276 eV

C96 (C1) #60

Total strain energy
(continuum elasticity)=31.355 eV

C96 (C1) #61

Total strain energy
(continuum elasticity)=31.882 eV

C96 (C1) #62

Total strain energy
(continuum elasticity)=32.964 eV

C96 (C1) #63

Total strain energy
(continuum elasticity)=32.536 eV

C96 (C1) #64

Total strain energy
(continuum elasticity)=32.319 eV

./C96/C96-C1-65.png ./C96/C96-C1-66.png ./C96/C96-C1-67.png ./C96/C96-C1-68.png ./C96/C96-C1-69.png ./C96/C96-C1-70.png ./C96/C96-C1-71.png ./C96/C96-C1-72.png
C96 (C1) #65

Total strain energy
(continuum elasticity)=32.470 eV

C96 (C1) #66

Total strain energy
(continuum elasticity)=32.463 eV

C96 (C1) #67

Total strain energy
(continuum elasticity)=31.375 eV

C96 (C1) #68

Total strain energy
(continuum elasticity)=31.870 eV

C96 (C1) #69

Total strain energy
(continuum elasticity)=31.926 eV

C96 (C1) #70

Total strain energy
(continuum elasticity)=31.262 eV

C96 (C1) #71

Total strain energy
(continuum elasticity)=33.049 eV

C96 (C1) #72

Total strain energy
(continuum elasticity)=27.451 eV

./C96/C96-C2-73.png ./C96/C96-C1-74.png ./C96/C96-C1-75.png ./C96/C96-C1-76.png ./C96/C96-C1-77.png ./C96/C96-C1-78.png ./C96/C96-C1-79.png ./C96/C96-C2-80.png
C96 (C2) #73

Total strain energy
(continuum elasticity)=33.309 eV

C96 (C1) #74

Total strain energy
(continuum elasticity)=28.126 eV

C96 (C1) #75

Total strain energy
(continuum elasticity)=32.561 eV

C96 (C1) #76

Total strain energy
(continuum elasticity)=32.589 eV

C96 (C1) #77

Total strain energy
(continuum elasticity)=33.055 eV

C96 (C1) #78

Total strain energy
(continuum elasticity)=33.181 eV

C96 (C1) #79

Total strain energy
(continuum elasticity)=32.869 eV

C96 (C2) #80

Total strain energy
(continuum elasticity)=34.287 eV

./C96/C96-Cs-81.png ./C96/C96-C2-82.png ./C96/C96-C2-83.png ./C96/C96-C1-84.png ./C96/C96-C1-85.png ./C96/C96-C1-86.png ./C96/C96-C1-87.png ./C96/C96-C1-88.png
C96 (Cs) #81

Total strain energy
(continuum elasticity)=31.996 eV

C96 (C2) #82

Total strain energy
(continuum elasticity)=31.612 eV

C96 (C2) #83

Total strain energy
(continuum elasticity)=33.306 eV

C96 (C1) #84

Total strain energy
(continuum elasticity)=31.833 eV

C96 (C1) #85

Total strain energy
(continuum elasticity)=32.451 eV

C96 (C1) #86

Total strain energy
(continuum elasticity)=33.441 eV

C96 (C1) #87

Total strain energy
(continuum elasticity)=33.824 eV

C96 (C1) #88

Total strain energy
(continuum elasticity)=33.046 eV

./C96/C96-Cs-89.png ./C96/C96-C1-90.png ./C96/C96-C1-91.png ./C96/C96-C1-92.png ./C96/C96-C1-93.png ./C96/C96-C1-94.png ./C96/C96-C1-95.png ./C96/C96-C2-96.png
C96 (Cs) #89

Total strain energy
(continuum elasticity)=31.151 eV

C96 (C1) #90

Total strain energy
(continuum elasticity)=31.597 eV

C96 (C1) #91

Total strain energy
(continuum elasticity)=31.270 eV

C96 (C1) #92

Total strain energy
(continuum elasticity)=31.379 eV

C96 (C1) #93

Total strain energy
(continuum elasticity)=32.516 eV

C96 (C1) #94

Total strain energy
(continuum elasticity)=31.982 eV

C96 (C1) #95

Total strain energy
(continuum elasticity)=32.000 eV

C96 (C2) #96

Total strain energy
(continuum elasticity)=32.846 eV

./C96/C96-C1-97.png ./C96/C96-C1-98.png ./C96/C96-C2-99.png ./C96/C96-C1-100.png ./C96/C96-C1-101.png ./C96/C96-C1-102.png ./C96/C96-C1-103.png ./C96/C96-C1-104.png
C96 (C1) #97

Total strain energy
(continuum elasticity)=32.401 eV

C96 (C1) #98

Total strain energy
(continuum elasticity)=32.073 eV

C96 (C2) #99

Total strain energy
(continuum elasticity)=34.382 eV

C96 (C1) #100

Total strain energy
(continuum elasticity)=32.528 eV

C96 (C1) #101

Total strain energy
(continuum elasticity)=31.069 eV

C96 (C1) #102

Total strain energy
(continuum elasticity)=32.060 eV

C96 (C1) #103

Total strain energy
(continuum elasticity)=33.303 eV

C96 (C1) #104

Total strain energy
(continuum elasticity)=31.794 eV

./C96/C96-C2-105.png ./C96/C96-C1-106.png ./C96/C96-C1-107.png ./C96/C96-C1-108.png ./C96/C96-D2-109.png ./C96/C96-C2v-110.png ./C96/C96-D2-111.png ./C96/C96-C1-112.png
C96 (C2) #105

Total strain energy
(continuum elasticity)=33.302 eV

C96 (C1) #106

Total strain energy
(continuum elasticity)=34.754 eV

C96 (C1) #107

Total strain energy
(continuum elasticity)=32.646 eV

C96 (C1) #108

Total strain energy
(continuum elasticity)=33.821 eV

C96 (D2) #109

Total strain energy
(continuum elasticity)=33.551 eV

C96 (C2v) #110

Total strain energy
(continuum elasticity)=37.854 eV

C96 (D2) #111

Total strain energy
(continuum elasticity)=35.973 eV

C96 (C1) #112

Total strain energy
(continuum elasticity)=31.387 eV

./C96/C96-C1-113.png ./C96/C96-C1-114.png ./C96/C96-C2-115.png ./C96/C96-C1-116.png ./C96/C96-C1-117.png ./C96/C96-C2-118.png ./C96/C96-C1-119.png ./C96/C96-C1-120.png
C96 (C1) #113

Total strain energy
(continuum elasticity)=31.993 eV

C96 (C1) #114

Total strain energy
(continuum elasticity)=31.476 eV

C96 (C2) #115

Total strain energy
(continuum elasticity)=32.025 eV

C96 (C1) #116

Total strain energy
(continuum elasticity)=31.514 eV

C96 (C1) #117

Total strain energy
(continuum elasticity)=32.595 eV

C96 (C2) #118

Total strain energy
(continuum elasticity)=32.005 eV

C96 (C1) #119

Total strain energy
(continuum elasticity)=31.360 eV

C96 (C1) #120

Total strain energy
(continuum elasticity)=33.756 eV

./C96/C96-D3-121.png ./C96/C96-C2-122.png ./C96/C96-C1-123.png ./C96/C96-C2-124.png ./C96/C96-C1-125.png ./C96/C96-C2-126.png ./C96/C96-C2-127.png ./C96/C96-C1-128.png
C96 (D3) #121

Total strain energy
(continuum elasticity)=32.151 eV

C96 (C2) #122

Total strain energy
(continuum elasticity)=31.817 eV

C96 (C1) #123

Total strain energy
(continuum elasticity)=32.588 eV

C96 (C2) #124

Total strain energy
(continuum elasticity)=31.932 eV

C96 (C1) #125

Total strain energy
(continuum elasticity)=31.994 eV

C96 (C2) #126

Total strain energy
(continuum elasticity)=33.054 eV

C96 (C2) #127

Total strain energy
(continuum elasticity)=31.748 eV

C96 (C1) #128

Total strain energy
(continuum elasticity)=32.082 eV

./C96/C96-C1-129.png ./C96/C96-C1-130.png ./C96/C96-C1-131.png ./C96/C96-C2-132.png ./C96/C96-Cs-133.png ./C96/C96-C1-134.png ./C96/C96-C1-135.png ./C96/C96-D3-136.png
C96 (C1) #129

Total strain energy
(continuum elasticity)=33.510 eV

C96 (C1) #130

Total strain energy
(continuum elasticity)=31.291 eV

C96 (C1) #131

Total strain energy
(continuum elasticity)=31.931 eV

C96 (C2) #132

Total strain energy
(continuum elasticity)=31.928 eV

C96 (Cs) #133

Total strain energy
(continuum elasticity)=33.069 eV

C96 (C1) #134

Total strain energy
(continuum elasticity)=33.072 eV

C96 (C1) #135

Total strain energy
(continuum elasticity)=33.614 eV

C96 (D3) #136

Total strain energy
(continuum elasticity)=35.065 eV

./C96/C96-C3v-137.png ./C96/C96-C1-138.png ./C96/C96-C1-139.png ./C96/C96-C1-140.png ./C96/C96-C1-141.png ./C96/C96-C2-142.png ./C96/C96-C1-143.png ./C96/C96-C1-144.png
C96 (C3v) #137

Total strain energy
(continuum elasticity)=33.471 eV

C96 (C1) #138

Total strain energy
(continuum elasticity)=31.984 eV

C96 (C1) #139

Total strain energy
(continuum elasticity)=32.630 eV

C96 (C1) #140

Total strain energy
(continuum elasticity)=31.841 eV

C96 (C1) #141

Total strain energy
(continuum elasticity)=31.391 eV

C96 (C2) #142

Total strain energy
(continuum elasticity)=32.011 eV

C96 (C1) #143

Total strain energy
(continuum elasticity)=32.173 eV

C96 (C1) #144

Total strain energy
(continuum elasticity)=31.445 eV

./C96/C96-C1-145.png ./C96/C96-Cs-146.png ./C96/C96-Cs-147.png ./C96/C96-D2h-148.png ./C96/C96-C2v-149.png ./C96/C96-D2-150.png ./C96/C96-C2-151.png ./C96/C96-C1-152.png
C96 (C1) #145

Total strain energy
(continuum elasticity)=31.347 eV

C96 (Cs) #146

Total strain energy
(continuum elasticity)=31.803 eV

C96 (Cs) #147

Total strain energy
(continuum elasticity)=31.454 eV

C96 (D2h) #148

Total strain energy
(continuum elasticity)=37.950 eV

C96 (C2v) #149

Total strain energy
(continuum elasticity)=35.136 eV

C96 (D2) #150

Total strain energy
(continuum elasticity)=35.460 eV

C96 (C2) #151

Total strain energy
(continuum elasticity)=33.290 eV

C96 (C1) #152

Total strain energy
(continuum elasticity)=31.736 eV

./C96/C96-C1-153.png ./C96/C96-D2-154.png ./C96/C96-C1-155.png ./C96/C96-Cs-156.png ./C96/C96-C2-157.png ./C96/C96-C2-158.png ./C96/C96-C1-159.png ./C96/C96-C1-160.png
C96 (C1) #153

Total strain energy
(continuum elasticity)=31.433 eV

C96 (D2) #154

Total strain energy
(continuum elasticity)=31.194 eV

C96 (C1) #155

Total strain energy
(continuum elasticity)=31.104 eV

C96 (Cs) #156

Total strain energy
(continuum elasticity)=31.847 eV

C96 (C2) #157

Total strain energy
(continuum elasticity)=31.002 eV

C96 (C2) #158

Total strain energy
(continuum elasticity)=30.572 eV

C96 (C1) #159

Total strain energy
(continuum elasticity)=30.801 eV

C96 (C1) #160

Total strain energy
(continuum elasticity)=30.893 eV

./C96/C96-Cs-161.png ./C96/C96-C2v-162.png ./C96/C96-D2d-163.png ./C96/C96-C1-164.png ./C96/C96-C2-165.png ./C96/C96-C1-166.png ./C96/C96-C2-167.png ./C96/C96-C2-168.png
C96 (Cs) #161

Total strain energy
(continuum elasticity)=30.714 eV

C96 (C2v) #162

Total strain energy
(continuum elasticity)=31.314 eV

C96 (D2d) #163

Total strain energy
(continuum elasticity)=30.474 eV

C96 (C1) #164

Total strain energy
(continuum elasticity)=30.901 eV

C96 (C2) #165

Total strain energy
(continuum elasticity)=30.949 eV

C96 (C1) #166

Total strain energy
(continuum elasticity)=31.569 eV

C96 (C2) #167

Total strain energy
(continuum elasticity)=30.943 eV

C96 (C2) #168

Total strain energy
(continuum elasticity)=32.244 eV

./C96/C96-C1-169.png ./C96/C96-Cs-170.png ./C96/C96-C2-171.png ./C96/C96-C1-172.png ./C96/C96-C2-173.png ./C96/C96-C2-174.png ./C96/C96-C1-175.png ./C96/C96-C2-176.png
C96 (C1) #169

Total strain energy
(continuum elasticity)=31.818 eV

C96 (Cs) #170

Total strain energy
(continuum elasticity)=31.616 eV

C96 (C2) #171

Total strain energy
(continuum elasticity)=32.208 eV

C96 (C1) #172

Total strain energy
(continuum elasticity)=31.666 eV

C96 (C2) #173

Total strain energy
(continuum elasticity)=32.257 eV

C96 (C2) #174

Total strain energy
(continuum elasticity)=31.969 eV

C96 (C1) #175

Total strain energy
(continuum elasticity)=31.599 eV

C96 (C2) #176

Total strain energy
(continuum elasticity)=31.088 eV

./C96/C96-C1-177.png ./C96/C96-Cs-178.png ./C96/C96-C2-179.png ./C96/C96-Cs-180.png ./C96/C96-C2-181.png ./C96/C96-C2-182.png ./C96/C96-D2-183.png ./C96/C96-D6h-184.png
C96 (C1) #177

Total strain energy
(continuum elasticity)=31.398 eV

C96 (Cs) #178

Total strain energy
(continuum elasticity)=31.895 eV

C96 (C2) #179

Total strain energy
(continuum elasticity)=30.942 eV

C96 (Cs) #180

Total strain energy
(continuum elasticity)=31.223 eV

C96 (C2) #181

Total strain energy
(continuum elasticity)=31.003 eV

C96 (C2) #182

Total strain energy
(continuum elasticity)=30.830 eV

C96 (D2) #183

Total strain energy
(continuum elasticity)=30.975 eV

C96 (D6h) #184

Total strain energy
(continuum elasticity)=32.403 eV

./C96/C96-D6d-185.png ./C96/C96-D2-186.png ./C96/C96-D6d-187.png
C96 (D6d) #185

Total strain energy
(continuum elasticity)=31.588 eV

C96 (D2) #186

Total strain energy
(continuum elasticity)=30.836 eV

C96 (D6d) #187

Total strain energy
(continuum elasticity)=32.078 eV


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