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	hartrees
Energy at 0K	-637.313284
Energy at 298.15K	-637.315581
HF Energy	-637.313284
Nuclear repulsion energy	149.713327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3183	0.38
2	A'	3202	3078	4.53
3	A'	1739	1672	151.44
4	A'	1403	1349	5.10
5	A'	1216	1169	186.24
6	A'	970	933	26.19
7	A'	698	671	47.55
8	A'	435	418	0.97
9	A'	371	357	0.12
10	A"	851	818	57.52
11	A"	726	698	0.14
12	A"	549	527	0.29

Atom	x (Å)	y (Å)
C1	0.000	0.459
C2	-1.028	1.291
F3	1.257	0.850
Cl4	-0.133	-1.260
H5	-0.851	2.359
H6	-2.039	0.913

	C1	C2	F3	Cl4	H5	H6
C1		1.3221	1.3167	1.7249	2.0813	2.0893
C2	1.3221		2.3271	2.7038	1.0826	1.0798
F3	1.3167	2.3271		2.5275	2.5919	3.2972
Cl4	1.7249	2.7038	2.5275		3.6898	2.8913
H5	2.0813	1.0826	2.5919	3.6898		1.8717
H6	2.0893	1.0798	3.2972	2.8913	1.8717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.553	C1	C2	H6	120.552
C2	C1	F3	123.742	C2	C1	Cl4	124.558
F3	C1	Cl4	111.700	H5	C2	H6	119.895

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

using model chemistry: B3PW91/6-31G(2df,p)

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	0.305
2	C	-0.461
3	F	-0.078
4	Cl	-0.111
5	H	0.169
6	H	0.176

	x	y	z	Total
	-0.906	0.787	0.000	1.200
CHELPG
AIM
ESP

	x	y	z
x	5.128	-0.865	0.000
y	-0.865	6.873	0.000
z	0.000	0.000	2.959

<r²>	94.597
(<r²>)^1/2	9.726

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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