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	hartrees
Energy at 0K	-835.863730
Energy at 298.15K
HF Energy	-835.863730
Nuclear repulsion energy	294.796960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1851	1779	63.57
2	A'	1352	1301	181.60
3	A'	1232	1184	215.17
4	A'	1073	1031	239.48
5	A'	707	679	3.98
6	A'	522	502	0.97
7	A'	465	447	0.37
8	A'	342	329	1.26
9	A'	189	182	2.45
10	A"	581	559	1.96
11	A"	385	371	0.69
12	A"	171	164	0.05

Atom	x (Å)	y (Å)
C1	-0.683	-0.663
C2	0.000	0.473
F3	-1.994	-0.716
F4	-0.131	-1.851
F5	-0.633	1.640
Cl6	1.701	0.558

	C1	C2	F3	F4	F5	Cl6
C1		1.3253	1.3124	1.3105	2.3029	2.6784
C2	1.3253		2.3217	2.3284	1.3271	1.7034
F3	1.3124	2.3217		2.1818	2.7204	3.9088
F4	1.3105	2.3284	2.1818		3.5270	3.0271
F5	2.3029	1.3271	2.7204	3.5270		2.5728
Cl6	2.6784	1.7034	3.9088	3.0271	2.5728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.498	C1	C2	Cl6	123.860
C2	C1	F3	123.331	C2	C1	F4	124.101
F3	C1	F4	112.569	F5	C2	Cl6	115.641

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

using model chemistry: B3PW91/cc-pVTZ

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	0.333
2	C	0.060
3	F	-0.114
4	F	-0.111
5	F	-0.127
6	Cl	-0.041

	x	y	z	Total
	0.278	-0.221	0.000	0.355
CHELPG
AIM
ESP

	x	y	z
x	6.965	0.987	0.000
y	0.987	5.719	0.000
z	0.000	0.000	3.298

<r²>	184.234
(<r²>)^1/2	13.573

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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