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	hartrees
Energy at 0K	-637.524548
Energy at 298.15K	-637.526625
HF Energy	-637.524548
Nuclear repulsion energy	140.016694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3117	7.73
2	A'	3214	3107	6.21
3	A'	1701	1644	24.39
4	A'	1326	1282	0.51
5	A'	1240	1199	2.17
6	A'	1140	1102	183.95
7	A'	868	839	57.31
8	A'	447	432	1.51
9	A'	271	262	5.87
10	A"	926	895	56.85
11	A"	822	795	9.81
12	A"	272	263	1.35

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.026	-0.357
Cl3	-1.635	-0.107
F4	2.285	0.111
H5	0.110	1.547
H6	0.965	-1.435

	C1	C2	Cl3	F4	H5	H6
C1		1.3205	1.7353	2.3135	1.0784	2.1400
C2	1.3205		2.6725	1.3429	2.1128	1.0802
Cl3	1.7353	2.6725		3.9257	2.4047	2.9199
F4	2.3135	1.3429	3.9257		2.6059	2.0326
H5	1.0784	2.1128	2.4047	2.6059		3.1028
H6	2.1400	1.0802	2.9199	2.0326	3.1028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.591	C1	C2	H6	125.811
C2	C1	Cl3	121.392	C2	C1	H5	123.150
Cl3	C1	H5	115.458	F4	C2	H6	113.598

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

using model chemistry: B3LYP/cc-pVTZ

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	-0.118
2	C	0.118
3	Cl	-0.087
4	F	-0.176
5	H	0.150
6	H	0.112

	x	y	z	Total
	0.083	-0.140	0.000	0.162
CHELPG
AIM
ESP

	x	y	z
x	7.743	-0.297	0.000
y	-0.297	4.809	0.000
z	0.000	0.000	3.231

<r²>	125.255
(<r²>)^1/2	11.192