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	hartrees
Energy at 0K	-829.937644
Energy at 298.15K
HF Energy	-829.354365
Nuclear repulsion energy	292.029650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1954	1818	38.50
2	A'	1439	1339	104.72
3	A'	1293	1203	129.05
4	A'	1098	1021	178.44
5	A'	704	655	4.71
6	A'	532	495	1.58
7	A'	466	433	1.57
8	A'	339	315	1.34
9	A'	197	183	5.22
10	A"	654	609	6.99
11	A"	414	385	7.23
12	A"	184	171	0.07

Atom	x (Å)	y (Å)
C1	-0.685	-0.640
C2	0.000	0.480
F3	-2.028	-0.698
F4	-0.115	-1.854
F5	-0.627	1.687
Cl6	1.708	0.514

	C1	C2	F3	F4	F5	Cl6
C1		1.3127	1.3438	1.3413	2.3278	2.6569
C2	1.3127		2.3451	2.3366	1.3605	1.7084
F3	1.3438	2.3451		2.2347	2.7662	3.9275
F4	1.3413	2.3366	2.2347		3.5780	2.9884
F5	2.3278	1.3605	2.7662	3.5780		2.6133
Cl6	2.6569	1.7084	3.9275	2.9884	2.6133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.086	C1	C2	Cl6	122.610
C2	C1	F3	123.955	C2	C1	F4	123.377
F3	C1	F4	112.667	F5	C2	Cl6	116.305

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

using model chemistry: CID/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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All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: CID/3-21G*

States and conformations

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