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	hartrees
Energy at 0K	-637.205094
Energy at 298.15K	-637.207419
HF Energy	-637.205094
Nuclear repulsion energy	149.956556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3177	0.50
2	A'	3199	3074	4.95
3	A'	1736	1669	171.70
4	A'	1400	1346	2.85
5	A'	1214	1167	197.03
6	A'	967	929	35.93
7	A'	708	680	46.19
8	A'	439	422	1.05
9	A'	375	360	0.04
10	A"	865	832	62.05
11	A"	728	700	0.07
12	A"	548	527	1.56

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-1.004	1.305
F3	1.268	0.833
Cl4	-0.151	-1.256
H5	-0.799	2.366
H6	-2.022	0.951

	C1	C2	F3	Cl4	H5	H6
C1		1.3170	1.3235	1.7159	2.0732	2.0821
C2	1.3170		2.3202	2.6999	1.0803	1.0774
F3	1.3235	2.3202		2.5255	2.5731	3.2914
Cl4	1.7159	2.6999	2.5255		3.6798	2.8937
H5	2.0732	1.0803	2.5731	3.6798		1.8698
H6	2.0821	1.0774	3.2914	2.8937	1.8698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.392	C1	C2	H6	120.489
C2	C1	F3	122.973	C2	C1	Cl4	125.289
F3	C1	Cl4	111.739	H5	C2	H6	120.119

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.211
2	C	-0.305
3	F	-0.128
4	Cl	-0.070
5	H	0.145
6	H	0.147

	x	y	z	Total
	-1.036	0.649	0.000	1.223
CHELPG
AIM
ESP

	x	y	z
x	5.297	-0.869	0.000
y	-0.869	7.150	0.000
z	0.000	0.000	3.280

<r²>	94.618
(<r²>)^1/2	9.727

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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