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	hartrees
Energy at 0K	-834.708251
Energy at 298.15K
HF Energy	-833.492890
Nuclear repulsion energy	296.444801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1921	1808	57.28
2	A'	1437	1353	149.69
3	A'	1300	1224	185.64
4	A'	1112	1047	209.81
5	A'	724	682	3.76
6	A'	536	505	1.21
7	A'	478	450	0.82
8	A'	345	325	1.33
9	A'	190	179	2.96
10	A"	636	599	2.76
11	A"	408	384	2.10
12	A"	180	169	0.01

Atom	x (Å)	y (Å)
C1	-0.693	-0.646
C2	0.000	0.477
F3	-1.995	-0.688
F4	-0.151	-1.830
F5	-0.603	1.648
Cl6	1.700	0.520

	C1	C2	F3	F4	F5	Cl6
C1		1.3198	1.3026	1.3013	2.2966	2.6617
C2	1.3198		2.3099	2.3113	1.3176	1.7002
F3	1.3026	2.3099		2.1688	2.7193	3.8869
F4	1.3013	2.3113	2.1688		3.5071	2.9908
F5	2.2966	1.3176	2.7193	3.5071		2.5642
Cl6	2.6617	1.7002	3.8869	2.9908	2.5642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.102	C1	C2	Cl6	123.121
C2	C1	F3	123.483	C2	C1	F4	123.720
F3	C1	F4	112.797	F5	C2	Cl6	115.778

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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