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	hartrees
Energy at 0K	-835.520506
Energy at 298.15K
HF Energy	-835.137023
Nuclear repulsion energy	295.126392

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'	1863	1863	58.39	15.49	0.38	0.55
2	A'	1387	1387	156.71	0.10	0.43	0.60
3	A'	1259	1259	186.90	0.23	0.29	0.45
4	A'	1081	1081	210.96	3.63	0.23	0.37
5	A'	708	708	4.78	8.06	0.09	0.16
6	A'	525	525	0.95	1.17	0.72	0.84
7	A'	466	466	0.45	2.59	0.30	0.46
8	A'	339	339	1.24	2.14	0.60	0.75
9	A'	187	187	2.79	0.49	0.60	0.75
10	A"	584	584	2.36	8.28	0.75	0.86
11	A"	389	389	1.33	0.17	0.75	0.86
12	A"	174	174	0.01	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.693	-0.652
C2	0.000	0.478
F3	-2.001	-0.693
F4	-0.149	-1.840
F5	-0.612	1.651
Cl6	1.707	0.528

	C1	C2	F3	F4	F5	Cl6
C1		1.3263	1.3086	1.3066	2.3046	2.6749
C2	1.3263		2.3189	2.3232	1.3226	1.7079
F3	1.3086	2.3189		2.1788	2.7246	3.9043
F4	1.3066	2.3232	2.1788		3.5215	3.0087
F5	2.3046	1.3226	2.7246	3.5215		2.5767
Cl6	2.6749	1.7079	3.9043	3.0087	2.5767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.922	C1	C2	Cl6	123.180
C2	C1	F3	123.295	C2	C1	F4	123.858
F3	C1	F4	112.847	F5	C2	Cl6	115.898

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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