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	hartrees
Energy at 0K	-637.430862
Energy at 298.15K	-637.432880
HF Energy	-637.430862
Nuclear repulsion energy	139.856162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3121	6.27
2	A'	3155	3114	9.14
3	A'	1642	1621	23.23
4	A'	1297	1280	0.82
5	A'	1217	1201	2.27
6	A'	1101	1087	191.23
7	A'	853	842	61.03
8	A'	440	434	1.28
9	A'	269	265	5.19
10	A"	890	878	58.48
11	A"	783	772	5.55
12	A"	264	261	0.80

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.019	-0.378
Cl3	-1.635	-0.078
F4	2.290	0.072
H5	0.129	1.552
H6	0.944	-1.460

	C1	C2	Cl3	F4	H5	H6
C1		1.3299	1.7266	2.3255	1.0835	2.1546
C2	1.3299		2.6712	1.3482	2.1258	1.0850
Cl3	1.7266	2.6712		3.9280	2.4017	2.9262
F4	2.3255	1.3482	3.9280		2.6199	2.0395
H5	1.0835	2.1258	2.4017	2.6199		3.1210
H6	2.1546	1.0850	2.9262	2.0395	3.1210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.533	C1	C2	H6	126.002
C2	C1	Cl3	121.298	C2	C1	H5	123.163
Cl3	C1	H5	115.540	F4	C2	H6	113.465

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.294
2	C	0.531
3	Cl	-0.163
4	F	-0.348
5	H	0.133
6	H	0.141

	x	y	z	Total
	0.002	-0.131	0.000	0.131
CHELPG
AIM
ESP

	x	y	z
x	8.591	-0.357	0.000
y	-0.357	5.570	0.000
z	0.000	0.000	4.442

<r²>	125.430
(<r²>)^1/2	11.200