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	hartrees
Energy at 0K	-637.428839
Energy at 298.15K	-637.430886
HF Energy	-637.428839
Nuclear repulsion energy	139.301827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3132	2.24
2	A'	3243	3127	13.19
3	A'	1706	1645	22.16
4	A'	1321	1273	0.22
5	A'	1246	1202	2.94
6	A'	1128	1088	199.09
7	A'	869	838	65.04
8	A'	445	429	1.50
9	A'	271	261	6.37
10	A"	916	883	68.77
11	A"	805	776	8.77
12	A"	269	259	1.31

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.029	-0.366
Cl3	-1.643	-0.104
F4	2.295	0.114
H5	0.113	1.550
H6	0.983	-1.449

	C1	C2	Cl3	F4	H5	H6
C1		1.3285	1.7415	2.3233	1.0828	2.1593
C2	1.3285		2.6851	1.3538	2.1243	1.0835
Cl3	1.7415	2.6851		3.9442	2.4129	2.9505
F4	2.3233	1.3538	3.9442		2.6124	2.0402
H5	1.0828	2.1243	2.4129	2.6124		3.1228
H6	2.1593	1.0835	2.9505	2.0402	3.1228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.024	C1	C2	H6	126.777
C2	C1	Cl3	121.415	C2	C1	H5	123.203
Cl3	C1	H5	115.382	F4	C2	H6	113.199

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

using model chemistry: B3LYP/6-31+G**

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	-0.180
2	C	0.100
3	Cl	0.013
4	F	-0.288
5	H	0.193
6	H	0.162

	x	y	z	Total
	-0.065	-0.202	0.000	0.212
CHELPG
AIM
ESP

	x	y	z
x	7.809	-0.369	0.000
y	-0.369	4.813	0.000
z	0.000	0.000	3.500

<r²>	126.615
(<r²>)^1/2	11.252