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	hartrees
Energy at 0K	-637.496733
Energy at 298.15K	-637.498998
HF Energy	-637.496733
Nuclear repulsion energy	148.813955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3287	0.07
2	A'	3182	3182	2.85
3	A'	1711	1711	165.53
4	A'	1413	1413	3.58
5	A'	1185	1185	212.75
6	A'	955	955	46.69
7	A'	683	683	56.79
8	A'	427	427	0.94
9	A'	368	368	0.05
10	A"	850	850	65.72
11	A"	722	722	0.38
12	A"	528	528	0.95

Atom	x (Å)	y (Å)
C1	0.000	0.459
C2	-1.008	1.317
F3	1.280	0.836
Cl4	-0.156	-1.266
H5	-0.798	2.378
H6	-2.030	0.970

	C1	C2	F3	Cl4	H5	H6
C1		1.3236	1.3346	1.7326	2.0785	2.0930
C2	1.3236		2.3382	2.7204	1.0819	1.0791
F3	1.3346	2.3382		2.5462	2.5880	3.3126
Cl4	1.7326	2.7204	2.5462		3.7010	2.9178
H5	2.0785	1.0819	2.5880	3.7010		1.8709
H6	2.0930	1.0791	3.3126	2.9178	1.8709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.215	C1	C2	H6	120.840
C2	C1	F3	123.188	C2	C1	Cl4	125.244
F3	C1	Cl4	111.568	H5	C2	H6	119.945

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

using model chemistry: TPSSh/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	0.143
2	C	-0.216
3	F	-0.182
4	Cl	-0.045
5	H	0.150
6	H	0.150

	x	y	z	Total
	-1.169	0.822	0.000	1.429
CHELPG
AIM
ESP

	x	y	z
x	4.761	-0.863	0.000
y	-0.863	6.936	0.000
z	0.000	0.000	2.422

<r²>	95.931
(<r²>)^1/2	9.794

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

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

States and conformations

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