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	hartrees
Energy at 0K	-835.808983
Energy at 298.15K
HF Energy	-835.808983
Nuclear repulsion energy	294.350766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1856	1787	61.70
2	A'	1351	1301	194.56
3	A'	1228	1182	233.74
4	A'	1068	1028	263.15
5	A'	704	678	4.58
6	A'	521	502	1.05
7	A'	464	447	0.34
8	A'	343	330	1.44
9	A'	189	182	3.13
10	A"	577	555	3.42
11	A"	384	369	0.90
12	A"	171	165	0.08

Atom	x (Å)	y (Å)
C1	-0.687	-0.662
C2	0.000	0.472
F3	-1.999	-0.710
F4	-0.137	-1.854
F5	-0.629	1.643
Cl6	1.706	0.555

	C1	C2	F3	F4	F5	Cl6
C1		1.3264	1.3136	1.3122	2.3062	2.6846
C2	1.3264		2.3228	2.3302	1.3288	1.7082
F3	1.3136	2.3228		2.1860	2.7229	3.9154
F4	1.3122	2.3302	2.1860		3.5312	3.0327
F5	2.3062	1.3288	2.7229	3.5312		2.5762
Cl6	2.6846	1.7082	3.9154	3.0327	2.5762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.580	C1	C2	Cl6	123.939
C2	C1	F3	123.243	C2	C1	F4	124.044
F3	C1	F4	112.713	F5	C2	Cl6	115.481

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

using model chemistry: B3PW91/6-311G*

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	0.467
2	C	0.014
3	F	-0.161
4	F	-0.159
5	F	-0.172
6	Cl	0.011

	x	y	z	Total
	0.234	-0.314	0.000	0.392
CHELPG
AIM
ESP

	x	y	z
x	6.482	0.986	0.000
y	0.986	4.977	0.000
z	0.000	0.000	2.457

<r²>	184.994
(<r²>)^1/2	13.601

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

using model chemistry: B3PW91/6-311G*

States and conformations

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