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	hartrees
Energy at 0K	-637.100905
Energy at 298.15K	-637.103102
HF Energy	-637.100905
Nuclear repulsion energy	148.174010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3195	0.20
2	A'	3119	3091	4.28
3	A'	1668	1653	166.66
4	A'	1353	1341	2.94
5	A'	1149	1139	215.00
6	A'	925	916	37.56
7	A'	666	660	55.76
8	A'	421	418	0.60
9	A'	365	362	0.03
10	A"	797	790	66.03
11	A"	692	686	0.20
12	A"	515	511	1.27

Atom	x (Å)	y (Å)
C1	0.000	0.461
C2	-1.020	1.316
F3	1.283	0.846
Cl4	-0.151	-1.272
H5	-0.814	2.386
H6	-2.046	0.961

	C1	C2	F3	Cl4	H5	H6
C1		1.3302	1.3390	1.7400	2.0894	2.1062
C2	1.3302		2.3496	2.7297	1.0893	1.0863
F3	1.3390	2.3496		2.5575	2.6014	3.3307
Cl4	1.7400	2.7297	2.5575		3.7173	2.9286
H5	2.0894	1.0893	2.6014	3.7173		1.8837
H6	2.1062	1.0863	3.3307	2.9286	1.8837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.096	C1	C2	H6	120.954
C2	C1	F3	123.347	C2	C1	Cl4	124.986
F3	C1	Cl4	111.667	H5	C2	H6	119.950

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

using model chemistry: PBEPBE/6-311G**

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	0.096
2	C	-0.222
3	F	-0.146
4	Cl	-0.028
5	H	0.150
6	H	0.150

	x	y	z	Total
	-1.050	0.786	0.000	1.312
CHELPG
AIM
ESP

	x	y	z
x	4.887	-0.849	0.000
y	-0.849	7.128	0.000
z	0.000	0.000	2.460

<r²>	96.675
(<r²>)^1/2	9.832

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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