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	hartrees
Energy at 0K	-834.568245
Energy at 298.15K
HF Energy	-833.531893
Nuclear repulsion energy	291.756784

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'	1844	1787	50.08	13.34	0.32	0.48
2	A'	1323	1282	174.43	0.38	0.53	0.70
3	A'	1205	1168	184.50	0.55	0.42	0.60
4	A'	1062	1029	234.01	1.92	0.36	0.53
5	A'	688	667	2.09	9.21	0.06	0.12
6	A'	511	496	1.05	1.13	0.74	0.85
7	A'	462	448	1.29	2.31	0.23	0.38
8	A'	337	326	1.33	1.93	0.52	0.69
9	A'	185	179	2.56	0.41	0.56	0.72
10	A"	544	528	2.16	5.75	0.75	0.86
11	A"	369	357	1.04	0.09	0.75	0.86
12	A"	172	167	0.06	0.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.674	-0.685
C2	0.000	0.475
F3	-2.001	-0.757
F4	-0.094	-1.879
F5	-0.674	1.642
Cl6	1.703	0.601

	C1	C2	F3	F4	F5	Cl6
C1		1.3411	1.3295	1.3279	2.3262	2.7022
C2	1.3411		2.3500	2.3562	1.3470	1.7080
F3	1.3295	2.3500		2.2130	2.7416	3.9454
F4	1.3279	2.3562	2.2130		3.5683	3.0627
F5	2.3262	1.3470	2.7416	3.5683		2.5947
Cl6	2.7022	1.7080	3.9454	3.0627	2.5947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.851	C1	C2	Cl6	124.370
C2	C1	F3	123.273	C2	C1	F4	123.962
F3	C1	F4	112.764	F5	C2	Cl6	115.778

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

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