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	hartrees
Energy at 0K	-834.689971
Energy at 298.15K
HF Energy	-833.662908
Nuclear repulsion energy	297.974481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1993	1993	79.20
2	A'	1465	1465	184.78
3	A'	1328	1328	230.40
4	A'	1151	1151	262.35
5	A'	751	751	3.84
6	A'	556	556	1.21
7	A'	495	495	0.81
8	A'	361	361	1.64
9	A'	201	201	2.89
10	A"	668	668	3.17
11	A"	420	420	1.74
12	A"	187	187	0.06

Atom	x (Å)	y (Å)
C1	-0.677	-0.655
C2	0.000	0.465
F3	-1.972	-0.708
F4	-0.137	-1.832
F5	-0.627	1.619
Cl6	1.687	0.554

	C1	C2	F3	F4	F5	Cl6
C1		1.3086	1.2959	1.2946	2.2746	2.6556
C2	1.3086		2.2944	2.3007	1.3133	1.6897
F3	1.2959	2.2944		2.1511	2.6881	3.8708
F4	1.2946	2.3007	2.1511		3.4853	3.0038
F5	2.2746	1.3133	2.6881	3.4853		2.5472
Cl6	2.6556	1.6897	3.8708	3.0038	2.5472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.347	C1	C2	Cl6	124.188
C2	C1	F3	123.511	C2	C1	F4	124.211
F3	C1	F4	112.278	F5	C2	Cl6	115.465

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

using model chemistry: CISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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