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	hartrees
Energy at 0K	-637.342758
Energy at 298.15K	-637.344736
HF Energy	-637.342758
Nuclear repulsion energy	138.888339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3137	5.60
2	A'	3185	3131	10.10
3	A'	1652	1624	19.67
4	A'	1293	1271	0.37
5	A'	1222	1201	3.26
6	A'	1097	1078	194.34
7	A'	843	829	69.27
8	A'	434	427	1.34
9	A'	267	262	5.82
10	A"	879	864	70.88
11	A"	755	742	6.47
12	A"	260	256	0.91

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.028	-0.378
Cl3	-1.647	-0.089
F4	2.304	0.090
H5	0.121	1.558
H6	0.968	-1.464

	C1	C2	Cl3	F4	H5	H6
C1		1.3374	1.7413	2.3364	1.0866	2.1698
C2	1.3374		2.6900	1.3597	2.1374	1.0877
Cl3	1.7413	2.6900		3.9548	2.4157	2.9544
F4	2.3364	1.3597	3.9548		2.6301	2.0499
H5	1.0866	2.1374	2.4157	2.6301		3.1382
H6	2.1698	1.0877	2.9544	2.0499	3.1382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.055	C1	C2	H6	126.641
C2	C1	Cl3	121.231	C2	C1	H5	123.379
Cl3	C1	H5	115.390	F4	C2	H6	113.304

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

using model chemistry: B97D3/6-31+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	-0.193
2	C	0.057
3	Cl	0.030
4	F	-0.262
5	H	0.201
6	H	0.167

	x	y	z	Total
	-0.055	-0.183	0.000	0.191
CHELPG
AIM
ESP

	x	y	z
x	8.041	-0.370	0.000
y	-0.370	4.902	0.000
z	0.000	0.000	3.554

<r²>	127.012
(<r²>)^1/2	11.270