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	hartrees
Energy at 0K	-637.017321
Energy at 298.15K	-637.019311
HF Energy	-637.017321
Nuclear repulsion energy	139.122714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3135	8.79
2	A'	3149	3106	6.42
3	A'	1669	1646	20.76
4	A'	1289	1271	0.12
5	A'	1202	1185	1.08
6	A'	1151	1135	155.91
7	A'	861	849	55.16
8	A'	440	434	1.45
9	A'	262	258	4.82
10	A"	890	877	51.29
11	A"	749	739	13.12
12	A"	265	262	0.88

Atom	x (Å)	y (Å)
C1	0.000	0.479
C2	1.031	-0.376
Cl3	-1.645	-0.084
F4	2.300	0.078
H5	0.126	1.563
H6	0.949	-1.466

	C1	C2	Cl3	F4	H5	H6
C1		1.3393	1.7383	2.3347	1.0908	2.1648
C2	1.3393		2.6912	1.3480	2.1394	1.0937
Cl3	1.7383	2.6912		3.9479	2.4179	2.9389
F4	2.3347	1.3480	3.9479		2.6325	2.0523
H5	1.0908	2.1394	2.4179	2.6325		3.1390
H6	2.1648	1.0937	2.9389	2.0523	3.1390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.633	C1	C2	H6	125.379
C2	C1	Cl3	121.420	C2	C1	H5	123.045
Cl3	C1	H5	115.535	F4	C2	H6	113.988

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

using model chemistry: PBEPBE/6-31G**

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	-0.289
2	C	0.209
3	Cl	0.009
4	F	-0.227
5	H	0.170
6	H	0.129

	x	y	z	Total
	0.401	-0.109	0.000	0.416
CHELPG
AIM
ESP

	x	y	z
x	7.273	-0.307	0.000
y	-0.307	4.264	0.000
z	0.000	0.000	2.251

<r²>	126.141
(<r²>)^1/2	11.231