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	hartrees
Energy at 0K	-829.240622
Energy at 298.15K
HF Energy	-829.240622
Nuclear repulsion energy	291.712949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	2066	1871	63.72	17.35	0.41	0.58
2	A'	1500	1359	117.12	0.97	0.54	0.70
3	A'	1341	1215	176.70	1.34	0.59	0.74
4	A'	1109	1004	200.25	1.96	0.45	0.62
5	A'	711	644	10.18	12.14	0.15	0.25
6	A'	547	495	1.86	2.76	0.73	0.84
7	A'	458	415	1.42	6.40	0.33	0.50
8	A'	336	304	1.92	2.83	0.70	0.82
9	A'	199	180	6.30	0.73	0.72	0.84
10	A"	716	648	14.09	20.50	0.75	0.86
11	A"	429	389	9.45	0.51	0.75	0.86
12	A"	191	173	0.02	0.12	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.743	-0.582
C2	0.000	0.478
F3	-2.071	-0.560
F4	-0.262	-1.818
F5	-0.518	1.716
Cl6	1.772	0.387

	C1	C2	F3	F4	F5	Cl6
C1		1.2950	1.3284	1.3257	2.3092	2.6959
C2	1.2950		2.3170	2.3108	1.3418	1.7745
F3	1.3284	2.3170		2.2034	2.7553	3.9586
F4	1.3257	2.3108	2.2034		3.5428	3.0004
F5	2.3092	1.3418	2.7553	3.5428		2.6476
Cl6	2.6959	1.7745	3.9586	3.0004	2.6476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	122.258	C1	C2	Cl6	122.099
C2	C1	F3	124.057	C2	C1	F4	123.708
F3	C1	F4	112.235	F5	C2	Cl6	115.643

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: HF/3-21G

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	0.809
2	C	0.051
3	F	-0.351
4	F	-0.352
5	F	-0.339
6	Cl	0.182

	x	y	z	Total
	0.134	-0.318	0.000	0.345
CHELPG
AIM
ESP

	x	y	z
x	5.738	0.845	0.000
y	0.845	3.946	0.000
z	0.000	0.000	1.382

<r²>	188.383
(<r²>)^1/2	13.725

All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)