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	hartrees
Energy at 0K	-637.357510
Energy at 298.15K	-637.359662
HF Energy	-637.357510
Nuclear repulsion energy	146.983767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3201	0.25
2	A'	3124	3100	2.73
3	A'	1667	1654	137.08
4	A'	1379	1369	4.14
5	A'	1154	1145	186.59
6	A'	931	924	35.11
7	A'	649	644	55.69
8	A'	413	410	0.30
9	A'	359	356	0.15
10	A"	795	789	54.96
11	A"	694	688	0.64
12	A"	504	501	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.469
C2	-1.023	1.329
F3	1.291	0.855
Cl4	-0.153	-1.286
H5	-0.820	2.400
H6	-2.051	0.976

	C1	C2	F3	Cl4	H5	H6
C1		1.3361	1.3470	1.7616	2.0977	2.1125
C2	1.3361		2.3613	2.7555	1.0899	1.0870
F3	1.3470	2.3613		2.5822	2.6157	3.3435
Cl4	1.7616	2.7555	2.5822		3.7455	2.9524
H5	2.0977	1.0899	2.6157	3.7455		1.8818
H6	2.1125	1.0870	3.3435	2.9524	1.8818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.351	C1	C2	H6	121.003
C2	C1	F3	123.295	C2	C1	Cl4	125.064
F3	C1	Cl4	111.641	H5	C2	H6	119.646

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

using model chemistry: BLYP/6-31G**

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	0.219
2	C	-0.241
3	F	-0.214
4	Cl	0.001
5	H	0.116
6	H	0.118

	x	y	z	Total
	-0.906	0.851	0.000	1.243
CHELPG
AIM
ESP

	x	y	z
x	4.811	-0.813	0.000
y	-0.813	6.826	0.000
z	0.000	0.000	2.236

<r²>	97.667
(<r²>)^1/2	9.883

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

using model chemistry: BLYP/6-31G**

States and conformations

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