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	hartrees
Energy at 0K	-634.244464
Energy at 298.15K	-634.246676
HF Energy	-634.244464
Nuclear repulsion energy	145.044040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3195	1.03
2	A'	3210	3098	6.76
3	A'	1758	1696	125.85
4	A'	1483	1431	2.97
5	A'	1212	1170	180.84
6	A'	989	954	26.31
7	A'	607	585	64.56
8	A'	404	390	0.13
9	A'	347	335	0.80
10	A"	945	911	91.10
11	A"	732	706	0.40
12	A"	525	507	0.18

Atom	x (Å)	y (Å)
C1	0.000	0.515
C2	-1.070	1.281
F3	1.285	0.931
Cl4	-0.125	-1.315
H5	-0.963	2.358
H6	-2.059	0.850

	C1	C2	F3	Cl4	H5	H6
C1		1.3161	1.3501	1.8347	2.0796	2.0857
C2	1.3161		2.3808	2.7632	1.0822	1.0785
F3	1.3501	2.3808		2.6513	2.6630	3.3443
Cl4	1.8347	2.7632	2.6513		3.7679	2.9032
H5	2.0796	1.0822	2.6630	3.7679		1.8640
H6	2.0857	1.0785	3.3443	2.9032	1.8640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.932	C1	C2	H6	120.836
C2	C1	F3	126.491	C2	C1	Cl4	121.698
F3	C1	Cl4	111.811	H5	C2	H6	119.232

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

using model chemistry: B3LYP/3-21G

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	0.101
2	C	-0.409
3	F	-0.239
4	Cl	0.074
5	H	0.237
6	H	0.236

	x	y	z	Total
	-1.229	1.457	0.000	1.906
CHELPG
AIM
ESP

	x	y	z
x	4.219	-0.782	0.000
y	-0.782	6.284	0.000
z	0.000	0.000	1.376

<r²>	100.206
(<r²>)^1/2	10.010

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

using model chemistry: B3LYP/3-21G

States and conformations

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