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	hartrees
Energy at 0K	-834.513965
Energy at 298.15K
HF Energy	-833.501596
Nuclear repulsion energy	291.918263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1851	1775
2	A'	1374	1318
3	A'	1241	1190
4	A'	1066	1022
5	A'	693	664
6	A'	516	495
7	A'	461	442
8	A'	337	323
9	A'	186	178
10	A"	538	516
11	A"	379	364
12	A"	170	163

Atom	x (Å)	y (Å)
C1	-0.693	-0.668
C2	0.000	0.482
F3	-2.016	-0.718
F4	-0.135	-1.866
F5	-0.635	1.661
Cl6	1.720	0.554

	C1	C2	F3	F4	F5	Cl6
C1		1.3429	1.3234	1.3217	2.3297	2.7045
C2	1.3429		2.3460	2.3518	1.3391	1.7210
F3	1.3234	2.3460		2.2035	2.7508	3.9459
F4	1.3217	2.3518	2.2035		3.5622	3.0484
F5	2.3297	1.3391	2.7508	3.5622		2.6020
Cl6	2.7045	1.7210	3.9459	3.0484	2.6020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.608	C1	C2	Cl6	123.464
C2	C1	F3	123.256	C2	C1	F4	123.920
F3	C1	F4	112.824	F5	C2	Cl6	115.928

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

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

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