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	hartrees
Energy at 0K	-835.090073
Energy at 298.15K
HF Energy	-833.636154
Nuclear repulsion energy	295.962026

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'	1852	1746	61.67	16.51	0.29	0.45
2	A'	1372	1293	179.06	0.21	0.44	0.61
3	A'	1250	1179	191.45	0.69	0.45	0.62
4	A'	1097	1034	229.56	2.79	0.38	0.55
5	A'	714	673	2.29	8.32	0.06	0.11
6	A'	528	498	1.04	0.96	0.68	0.81
7	A'	477	449	1.09	2.17	0.24	0.39
8	A'	347	327	1.31	1.91	0.51	0.68
9	A'	192	181	2.50	0.40	0.55	0.71
10	A"	594	560	2.16	5.76	0.75	0.86
11	A"	387	365	1.09	0.11	0.75	0.86
12	A"	177	167	0.07	0.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.668	-0.674
C2	0.000	0.473
F3	-1.974	-0.744
F4	-0.098	-1.849
F5	-0.659	1.623
Cl6	1.681	0.584

	C1	C2	F3	F4	F5	Cl6
C1		1.3276	1.3077	1.3064	2.2971	2.6651
C2	1.3276		2.3194	2.3244	1.3254	1.6851
F3	1.3077	2.3194		2.1774	2.7084	3.8894
F4	1.3064	2.3244	2.1774		3.5174	3.0141
F5	2.2971	1.3254	2.7084	3.5174		2.5609
Cl6	2.6651	1.6851	3.8894	3.0141	2.5609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.964	C1	C2	Cl6	123.983
C2	C1	F3	123.315	C2	C1	F4	123.884
F3	C1	F4	112.801	F5	C2	Cl6	116.054

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

States and conformations

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