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	hartrees
Energy at 0K	-637.434257
Energy at 298.15K	-637.436561
HF Energy	-637.434257
Nuclear repulsion energy	149.512301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3209	0.73
2	A'	3220	3095	6.14
3	A'	1763	1695	169.03
4	A'	1379	1326	5.92
5	A'	1224	1176	208.55
6	A'	961	924	32.70
7	A'	707	679	48.36
8	A'	434	417	1.23
9	A'	371	357	0.12
10	A"	850	817	56.20
11	A"	725	697	0.19
12	A"	548	527	0.47

Atom	x (Å)	y (Å)
C1	0.000	0.455
C2	-1.014	1.305
F3	1.269	0.838
Cl4	-0.146	-1.260
H5	-0.808	2.372
H6	-2.036	0.942

	C1	C2	F3	Cl4	H5	H6
C1		1.3228	1.3251	1.7214	2.0805	2.0936
C2	1.3228		2.3298	2.7073	1.0872	1.0846
F3	1.3251	2.3298		2.5306	2.5821	3.3064
Cl4	1.7214	2.7073	2.5306		3.6920	2.9018
H5	2.0805	1.0872	2.5821	3.6920		1.8849
H6	2.0936	1.0846	3.3064	2.9018	1.8849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.048	C1	C2	H6	120.525
C2	C1	F3	123.254	C2	C1	Cl4	125.071
F3	C1	Cl4	111.674	H5	C2	H6	120.427

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: B1B95/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	0.054
2	C	0.008
3	F	-0.135
4	Cl	-0.045
5	H	0.058
6	H	0.060

	x	y	z	Total
	-1.016	0.669	0.000	1.216
CHELPG
AIM
ESP

	x	y	z
x	4.654	-0.851	0.000
y	-0.851	6.566	0.000
z	0.000	0.000	2.274

<r²>	94.896
(<r²>)^1/2	9.741

All results from a given calculation for C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)