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Molecular Energy Data Analysis

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roteca.ggoof
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4 views3 pages

Molecular Energy Data Analysis

Uploaded by

roteca.ggoof
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as TXT, PDF, TXT or read online on Scribd

8

image # 1 Energy = -539.42626


C 1.59834 -0.37188 0.00000
C 0.48838 0.66527 -0.00000
H 1.54407 -1.00875 -0.88776
H 1.54407 -1.00874 0.88777
H 2.56897 0.13993 0.00000
Cl -1.15885 -0.11309 0.00000
H 0.52145 1.29907 -0.88833
H 0.52145 1.29907 0.88833
8
image # 2 Energy = -539.41543
C 1.55741 -0.38650 -0.00006
C 0.51559 0.68709 0.00003
H 1.50086 -1.02714 -0.89756
H 1.50086 -1.02708 0.89741
H 2.47589 0.18970 -0.00005
Cl -0.98706 -0.16720 0.00010
H 0.51758 1.29970 -0.89512
H 0.51767 1.29973 0.89519
8
image # 3 Energy = -539.37768
C 1.50387 -0.42288 -0.00020
C 0.54968 0.70845 0.00000
H 1.45957 -1.03995 -0.90105
H 1.45955 -1.03994 0.90069
H 2.40221 0.24873 -0.00014
Cl -0.81417 -0.23003 -0.00003
H 0.51586 1.30900 -0.90863
H 0.51595 1.30910 0.90857
8
image # 4 Energy = -539.30354
C 1.49032 -0.43635 -0.00012
C 0.56401 0.73109 0.00001
H 1.40772 -1.06292 -0.90905
H 1.40761 -1.06306 0.90863
H 2.31589 0.30049 -0.00010
Cl -0.61377 -0.30711 -0.00035
H 0.51893 1.32192 -0.92155
H 0.51882 1.32215 0.92145
8
image # 5 Energy = -539.15952
C 1.45416 -0.48380 0.00008
C 0.60325 0.77261 0.00016
H 1.38393 -1.09211 -0.91246
H 1.38353 -1.09239 0.91242
H 2.24248 0.34711 0.00028
Cl -0.41174 -0.33558 -0.00060
H 0.49415 1.30874 -0.92150
H 0.49350 1.30902 0.92153
8
image # 6 Energy = -538.86452
C 1.38722 -0.52571 -0.00017
C 0.63615 0.77025 0.00004
H 1.38509 -1.10916 -0.92876
H 1.38463 -1.10911 0.92842
H 2.17740 0.37385 0.00035
Cl -0.22800 -0.24952 -0.00046
H 0.46634 1.29715 -0.93244
H 0.46570 1.29725 0.93234
8
image # 7 Energy = -538.68800
C 1.34391 -0.53744 -0.00079
C 0.66636 0.76211 -0.00046
H 1.37448 -1.09651 -0.93128
H 1.37452 -1.09663 0.92970
H 2.16449 0.40446 -0.00052
Cl -0.17008 -0.19342 -0.00050
H 0.46377 1.29698 -0.92891
H 0.46364 1.29711 0.92806
8
image # 8 Energy = -537.93292
C 1.28474 -0.54189 -0.00095
C 0.63163 0.74341 -0.00063
H 1.38028 -1.09550 -0.93261
H 1.38053 -1.09568 0.93062
H 2.11312 0.42633 -0.00086
Cl 0.01963 -0.13519 -0.00057
H 0.44955 1.29388 -0.92967
H 0.44972 1.29401 0.92839
8
image # 9 Energy = -536.66298
C 1.23826 -0.55174 -0.00086
C 0.61715 0.73910 -0.00067
H 1.36897 -1.09832 -0.93186
H 1.36923 -1.09845 0.93007
H 2.06504 0.45129 -0.00081
Cl 0.21362 -0.09448 -0.00055
H 0.42605 1.28040 -0.93077
H 0.42625 1.28055 0.92939
8
image # 10 Energy = -534.20746
C 1.18510 -0.56728 -0.00072
C 0.60424 0.73481 -0.00064
H 1.33888 -1.10172 -0.93322
H 1.33909 -1.10182 0.93172
H 2.02363 0.47560 -0.00067
Cl 0.42144 -0.04658 -0.00051
H 0.40004 1.25986 -0.93224
H 0.40020 1.26000 0.93093
8
image # 11 Energy = -530.95074
C 1.12502 -0.57295 -0.00045
C 0.58809 0.71879 -0.00043
H 1.29874 -1.10288 -0.93170
H 1.29884 -1.10295 0.93075
H 1.99576 0.49424 -0.00040
Cl 0.61229 -0.00286 -0.00035
H 0.37659 1.23547 -0.93137
H 0.37664 1.23556 0.93049
8
image # 12 Energy = -527.63128
C 1.05260 -0.56297 0.00000
C 0.56952 0.67723 -0.00000
H 1.26104 -1.09807 -0.92353
H 1.26103 -1.09807 0.92353
H 1.98188 0.51318 0.00001
Cl 0.77965 0.04490 0.00000
H 0.36109 1.21234 -0.92353
H 0.36109 1.21234 0.92353

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