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	hartrees
Energy at 0K	-835.270025
Energy at 298.15K
HF Energy	-835.270025
Nuclear repulsion energy	288.043693

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'	1882	1800	33.20	10.82	0.35	0.52
2	A'	1334	1276	128.49	0.46	0.52	0.68
3	A'	1216	1163	159.27	0.11	0.51	0.68
4	A'	1036	991	196.40	2.12	0.12	0.22
5	A'	667	638	6.43	10.50	0.14	0.25
6	A'	498	476	1.72	2.45	0.75	0.86
7	A'	439	420	1.10	3.59	0.37	0.54
8	A'	324	310	1.37	3.59	0.67	0.80
9	A'	184	176	4.32	0.73	0.67	0.80
10	A"	565	540	3.46	13.67	0.75	0.86
11	A"	372	355	4.04	0.35	0.75	0.86
12	A"	166	158	0.05	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.710	-0.648
C2	0.000	0.471
F3	-2.063	-0.674
F4	-0.164	-1.884
F5	-0.619	1.686
Cl6	1.757	0.524

	C1	C2	F3	F4	F5	Cl6
C1		1.3248	1.3529	1.3519	2.3352	2.7321
C2	1.3248		2.3594	2.3602	1.3640	1.7583
F3	1.3529	2.3594		2.2521	2.7666	4.0041
F4	1.3519	2.3602	2.2521		3.5988	3.0806
F5	2.3352	1.3640	2.7666	3.5988		2.6455
Cl6	2.7321	1.7583	4.0041	3.0806	2.6455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.562	C1	C2	Cl6	124.186
C2	C1	F3	123.559	C2	C1	F4	123.704
F3	C1	F4	112.738	F5	C2	Cl6	115.253

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

using model chemistry: HSEh1PBE/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	0.587
2	C	-0.004
3	F	-0.261
4	F	-0.262
5	F	-0.264
6	Cl	0.205

	x	y	z	Total
	0.452	-0.161	0.000	0.480
CHELPG
AIM
ESP

	x	y	z
x	6.293	0.879	0.000
y	0.879	4.721	0.000
z	0.000	0.000	1.843

<r²>	192.187
(<r²>)^1/2	13.863

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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