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	hartrees
Energy at 0K	-637.138848
Energy at 298.15K	-637.141167
HF Energy	-637.138848
Nuclear repulsion energy	149.693163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3176	0.44
2	A'	3202	3072	5.53
3	A'	1747	1676	178.89
4	A'	1401	1344	4.50
5	A'	1215	1166	225.82
6	A'	967	927	34.55
7	A'	706	677	52.67
8	A'	440	422	1.18
9	A'	378	363	0.03
10	A"	861	826	70.24
11	A"	727	698	0.23
12	A"	543	521	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.011	1.303
F3	1.267	0.838
Cl4	-0.147	-1.260
H5	-0.807	2.366
H6	-2.030	0.950

	C1	C2	F3	Cl4	H5	H6
C1		1.3188	1.3233	1.7216	2.0734	2.0897
C2	1.3188		2.3243	2.7041	1.0823	1.0793
F3	1.3233	2.3243		2.5299	2.5753	3.2991
Cl4	1.7216	2.7041	2.5299		3.6849	2.9031
H5	2.0734	1.0823	2.5753	3.6849		1.8717
H6	2.0897	1.0793	3.2991	2.9031	1.8717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.110	C1	C2	H6	120.920
C2	C1	F3	123.221	C2	C1	Cl4	125.071
F3	C1	Cl4	111.708	H5	C2	H6	119.970

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

using model chemistry: PBE1PBE/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	0.127
2	C	-0.237
3	F	-0.173
4	Cl	-0.034
5	H	0.159
6	H	0.159

	x	y	z	Total
	-1.155	0.785	0.000	1.397
CHELPG
AIM
ESP

	x	y	z
x	4.698	-0.887	0.000
y	-0.887	6.788	0.000
z	0.000	0.000	2.421

<r²>	95.041
(<r²>)^1/2	9.749

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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