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	hartrees
Energy at 0K	-833.638440
Energy at 298.15K
HF Energy	-833.638440
Nuclear repulsion energy	298.769499

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'	2031	1846	100.30	46.54	0.26	0.42
2	A'	1498	1362	183.00	0.23	0.53	0.69
3	A'	1350	1226	254.46	0.33	0.53	0.69
4	A'	1173	1066	288.61	3.33	0.37	0.54
5	A'	769	699	4.31	8.70	0.05	0.10
6	A'	575	522	1.12	0.99	0.71	0.83
7	A'	506	460	0.72	3.00	0.22	0.36
8	A'	373	339	1.92	1.81	0.47	0.64
9	A'	208	189	3.10	0.45	0.53	0.69
10	A"	708	643	4.53	11.48	0.75	0.86
11	A"	435	395	2.30	0.10	0.75	0.86
12	A"	194	177	0.04	0.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.685	-0.649
C2	0.000	0.461
F3	-1.972	-0.690
F4	-0.164	-1.824
F5	-0.609	1.616
Cl6	1.695	0.542

	C1	C2	F3	F4	F5	Cl6
C1		1.3041	1.2869	1.2858	2.2659	2.6611
C2	1.3041		2.2829	2.2907	1.3057	1.6966
F3	1.2869	2.2829		2.1339	2.6787	3.8677
F4	1.2858	2.2907	2.1339		3.4686	3.0085
F5	2.2659	1.3057	2.6787	3.4686		2.5416
Cl6	2.6611	1.6966	3.8677	3.0085	2.5416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.512	C1	C2	Cl6	124.436
C2	C1	F3	123.548	C2	C1	F4	124.375
F3	C1	F4	112.077	F5	C2	Cl6	115.052

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

using model chemistry: HF/6-311+G(3df,2p)

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	1.612
2	C	-0.011
3	F	-0.487
4	F	-0.470
5	F	-0.560
6	Cl	-0.084

	x	y	z	Total
	0.339	-0.290	0.000	0.446
CHELPG
AIM
ESP

	x	y	z
x	6.891	1.034	0.000
y	1.034	5.981	0.000
z	0.000	0.000	4.053

<r²>	180.943
(<r²>)^1/2	13.452

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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