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	hartrees
Energy at 0K	-637.346816
Energy at 298.15K	-637.348905
HF Energy	-637.346816
Nuclear repulsion energy	140.149287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3248	7.88
2	A'	3237	3237	6.32
3	A'	1761	1761	30.01
4	A'	1309	1309	0.63
5	A'	1217	1217	11.09
6	A'	1192	1192	175.40
7	A'	884	884	52.88
8	A'	455	455	1.89
9	A'	270	270	6.17
10	A"	940	940	51.49
11	A"	828	828	16.48
12	A"	273	273	1.59

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.025	-0.363
Cl3	-1.632	-0.098
F4	2.280	0.095
H5	0.128	1.560
H6	0.946	-1.451

	C1	C2	Cl3	F4	H5	H6
C1		1.3261	1.7306	2.3115	1.0890	2.1481
C2	1.3261		2.6704	1.3353	2.1217	1.0909
Cl3	1.7306	2.6704		3.9163	2.4173	2.9109
F4	2.3115	1.3353	3.9163		2.6030	2.0420
H5	1.0890	2.1217	2.4173	2.6030		3.1195
H6	2.1481	1.0909	2.9109	2.0420	3.1195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.583	C1	C2	H6	125.161
C2	C1	Cl3	121.204	C2	C1	H5	122.626
Cl3	C1	H5	116.170	F4	C2	H6	114.256

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

using model chemistry: M06-2X/cc-pVDZ

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	-0.140
2	C	0.240
3	Cl	-0.049
4	F	-0.178
5	H	0.082
6	H	0.045

	x	y	z	Total
	0.163	-0.178	0.000	0.241
CHELPG
AIM
ESP

	x	y	z
x	6.925	-0.306	0.000
y	-0.306	4.227	0.000
z	0.000	0.000	2.252

<r²>	124.689
(<r²>)^1/2	11.166