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	hartrees
Energy at 0K	-834.446503
Energy at 298.15K
HF Energy	-833.587019
Nuclear repulsion energy	296.738759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1987	1838	74.40
2	A'	1453	1344	192.14
3	A'	1316	1218	242.30
4	A'	1141	1056	283.61
5	A'	744	689	3.86
6	A'	551	510	1.30
7	A'	492	455	0.82
8	A'	361	334	1.85
9	A'	201	186	3.71
10	A"	654	606	5.22
11	A"	418	386	2.74
12	A"	186	172	0.07

Atom	x (Å)	y (Å)
C1	-0.684	-0.655
C2	0.000	0.466
F3	-1.984	-0.699
F4	-0.145	-1.837
F5	-0.622	1.628
Cl6	1.698	0.547

	C1	C2	F3	F4	F5	Cl6
C1		1.3132	1.3005	1.2994	2.2840	2.6683
C2	1.3132		2.3011	2.3076	1.3182	1.7000
F3	1.3005	2.3011		2.1623	2.6971	3.8874
F4	1.2994	2.3076	2.1623		3.4980	3.0135
F5	2.2840	1.3182	2.6971	3.4980		2.5595
Cl6	2.6683	1.7000	3.8874	3.0135	2.5595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.445	C1	C2	Cl6	124.138
C2	C1	F3	123.381	C2	C1	F4	124.076
F3	C1	F4	112.543	F5	C2	Cl6	115.417

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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