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	hartrees
Energy at 0K	-637.490629
Energy at 298.15K	-637.492727
HF Energy	-637.490629
Nuclear repulsion energy	140.606197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3120	7.76
2	A'	3248	3108	6.59
3	A'	1736	1662	25.50
4	A'	1333	1276	0.30
5	A'	1249	1195	0.58
6	A'	1167	1116	203.25
7	A'	893	855	59.47
8	A'	456	436	1.68
9	A'	272	260	6.40
10	A"	937	897	62.45
11	A"	821	786	11.33
12	A"	276	264	1.35

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.022	-0.357
Cl3	-1.628	-0.104
F4	2.274	0.106
H5	0.113	1.546
H6	0.960	-1.435

	C1	C2	Cl3	F4	H5	H6
C1		1.3170	1.7271	2.3035	1.0778	2.1366
C2	1.3170		2.6612	1.3352	2.1087	1.0795
Cl3	1.7271	2.6612		3.9071	2.3984	2.9094
F4	2.3035	1.3352	3.9071		2.5966	2.0252
H5	1.0778	2.1087	2.3984	2.5966		3.0987
H6	2.1366	1.0795	2.9094	2.0252	3.0987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.575	C1	C2	H6	125.846
C2	C1	Cl3	121.313	C2	C1	H5	123.105
Cl3	C1	H5	115.582	F4	C2	H6	113.579

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: B1B95/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.150
2	C	0.085
3	Cl	-0.068
4	F	-0.185
5	H	0.192
6	H	0.125

	x	y	z	Total
	-0.019	-0.186	0.000	0.187
CHELPG
AIM
ESP

	x	y	z
x	7.310	-0.329	0.000
y	-0.329	4.482	0.000
z	0.000	0.000	3.080

<r²>	124.303
(<r²>)^1/2	11.149