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	hartrees
Energy at 0K	-635.813451
Energy at 298.15K	-635.815945
HF Energy	-635.813451
Nuclear repulsion energy	150.230449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3459	3141	0.19
2	A'	3346	3038	4.13
3	A'	1891	1717	193.34
4	A'	1508	1369	6.07
5	A'	1316	1195	218.51
6	A'	1044	948	48.97
7	A'	751	682	55.51
8	A'	464	422	1.90
9	A'	400	363	0.14
10	A"	995	903	66.08
11	A"	797	724	0.51
12	A"	592	538	0.09

Atom	x (Å)	y (Å)
C1	0.000	0.458
C2	-1.000	1.304
F3	1.259	0.833
Cl4	-0.148	-1.258
H5	-0.795	2.365
H6	-2.018	0.951

	C1	C2	F3	Cl4	H5	H6
C1		1.3097	1.3139	1.7224	2.0656	2.0773
C2	1.3097		2.3081	2.6996	1.0803	1.0776
F3	1.3139	2.3081		2.5202	2.5627	3.2796
Cl4	1.7224	2.6996	2.5202		3.6797	2.8938
H5	2.0656	1.0803	2.5627	3.6797		1.8695
H6	2.0773	1.0776	3.2796	2.8938	1.8695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.280	C1	C2	H6	120.645
C2	C1	F3	123.219	C2	C1	Cl4	125.282
F3	C1	Cl4	111.499	H5	C2	H6	120.074

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

using model chemistry: HF/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	0.177
2	C	-0.023
3	F	-0.230
4	Cl	-0.077
5	H	0.076
6	H	0.077

	x	y	z	Total
	-1.292	0.804	0.000	1.522
CHELPG
AIM
ESP

	x	y	z
x	4.484	-0.978	0.000
y	-0.978	6.322	0.000
z	0.000	0.000	2.227

<r²>	94.584
(<r²>)^1/2	9.725

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

using model chemistry: HF/cc-pVDZ

States and conformations

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