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	hartrees
Energy at 0K	-637.430163
Energy at 298.15K	-637.432259
HF Energy	-637.430163
Nuclear repulsion energy	140.742756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3092	6.10
2	A'	3228	3085	11.31
3	A'	1739	1662	31.12
4	A'	1330	1271	0.25
5	A'	1240	1185	0.59
6	A'	1175	1123	198.40
7	A'	885	846	51.37
8	A'	456	436	1.69
9	A'	266	255	6.02
10	A"	941	900	54.93
11	A"	845	808	10.67
12	A"	271	259	1.35

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.017	-0.361
Cl3	-1.625	-0.099
F4	2.272	0.098
H5	0.124	1.547
H6	0.945	-1.438

	C1	C2	Cl3	F4	H5	H6
C1		1.3166	1.7234	2.3033	1.0785	2.1351
C2	1.3166		2.6542	1.3367	2.1066	1.0802
Cl3	1.7234	2.6542		3.9017	2.4016	2.8979
F4	2.3033	1.3367	3.9017		2.5916	2.0301
H5	1.0785	2.1066	2.4016	2.5916		3.0968
H6	2.1351	1.0802	2.8979	2.0301	3.0968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.480	C1	C2	H6	125.663
C2	C1	Cl3	121.053	C2	C1	H5	122.867
Cl3	C1	H5	116.080	F4	C2	H6	113.857

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

using model chemistry: M06-2X/aug-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	-0.346
2	C	-0.194
3	Cl	-0.107
4	F	-0.316
5	H	0.392
6	H	0.571

	x	y	z	Total
	-0.003	-0.145	0.000	0.145
CHELPG
AIM
ESP

	x	y	z
x	8.194	-0.328	0.000
y	-0.328	5.474	0.000
z	0.000	0.000	4.390

<r²>	124.121
(<r²>)^1/2	11.141