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	hartrees
Energy at 0K	-835.409224
Energy at 298.15K
HF Energy	-835.107468
Nuclear repulsion energy	293.169601

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'	1869	1869	50.55	14.04	0.39	0.57
2	A'	1381	1381	155.54	0.09	0.44	0.61
3	A'	1251	1251	201.77	0.29	0.22	0.36
4	A'	1078	1078	228.72	3.20	0.17	0.28
5	A'	700	700	4.42	8.23	0.12	0.22
6	A'	517	517	1.00	1.65	0.75	0.85
7	A'	461	461	0.51	2.59	0.37	0.54
8	A'	338	338	1.29	2.63	0.63	0.77
9	A'	187	187	3.05	0.57	0.64	0.78
10	A"	535	535	2.92	11.23	0.75	0.86
11	A"	376	376	1.68	0.32	0.75	0.86
12	A"	172	172	0.03	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.684	-0.668
C2	0.000	0.472
F3	-2.004	-0.717
F4	-0.123	-1.863
F5	-0.647	1.642
Cl6	1.710	0.565

	C1	C2	F3	F4	F5	Cl6
C1		1.3294	1.3213	1.3201	2.3102	2.6929
C2	1.3294		2.3303	2.3378	1.3369	1.7124
F3	1.3213	2.3303		2.2035	2.7215	3.9293
F4	1.3201	2.3378	2.2035		3.5436	3.0419
F5	2.3102	1.3369	2.7215	3.5436		2.5907
Cl6	2.6929	1.7124	3.9293	3.0419	2.5907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.105	C1	C2	Cl6	124.100
C2	C1	F3	123.078	C2	C1	F4	123.858
F3	C1	F4	113.064	F5	C2	Cl6	115.794

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

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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=FULLultrafine/6-31G**

States and conformations

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