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	hartrees
Energy at 0K	-635.827547
Energy at 298.15K	-635.830031
HF Energy	-635.827547
Nuclear repulsion energy	150.071575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3450	3142	0.14
2	A'	3340	3041	3.53
3	A'	1872	1705	184.37
4	A'	1510	1375	2.88
5	A'	1299	1183	192.06
6	A'	1035	943	49.88
7	A'	752	684	48.86
8	A'	462	421	1.89
9	A'	396	361	0.05
10	A"	1008	917	63.32
11	A"	792	721	0.15
12	A"	577	525	1.88

Atom	x (Å)	y (Å)
C1	0.000	0.457
C2	-0.990	1.316
F3	1.266	0.823
Cl4	-0.157	-1.258
H5	-0.776	2.374
H6	-2.009	0.973

	C1	C2	F3	Cl4	H5	H6
C1		1.3110	1.3183	1.7224	2.0677	2.0747
C2	1.3110		2.3096	2.7060	1.0787	1.0758
F3	1.3183	2.3096		2.5216	2.5641	3.2793
Cl4	1.7224	2.7060	2.5216		3.6842	2.9001
H5	2.0677	1.0787	2.5641	3.6842		1.8663
H6	2.0747	1.0758	3.2793	2.9001	1.8663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.516	C1	C2	H6	120.431
C2	C1	F3	122.907	C2	C1	Cl4	125.730
F3	C1	Cl4	111.362	H5	C2	H6	120.053

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

using model chemistry: HF/aug-cc-pVDZ

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	0.459
2	C	0.716
3	F	-0.627
4	Cl	-0.144
5	H	-0.225
6	H	-0.179

	x	y	z	Total
	-1.341	0.849	0.000	1.588
CHELPG
AIM
ESP

	x	y	z
x	5.684	-0.975	0.000
y	-0.975	7.342	0.000
z	0.000	0.000	4.210

<r²>	94.887
(<r²>)^1/2	9.741

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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