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	hartrees
Energy at 0K	-835.054724
Energy at 298.15K	-835.048321
HF Energy	-833.453426
Nuclear repulsion energy	297.412896

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'	2063	2063	87.97	34.73	0.35	0.51
2	A'	1505	1505	185.09	0.04	0.33	0.50
3	A'	1349	1349	273.55	0.13	0.35	0.52
4	A'	1167	1167	316.16	2.32	0.25	0.40
5	A'	764	764	4.66	7.81	0.11	0.20
6	A'	569	569	1.36	1.63	0.74	0.85
7	A'	502	502	0.66	3.15	0.36	0.53
8	A'	368	368	2.05	2.33	0.62	0.77
9	A'	204	204	4.14	0.56	0.62	0.77
10	A"	695	695	7.28	16.13	0.75	0.86
11	A"	436	436	5.62	0.28	0.75	0.86
12	A"	194	194	0.03	0.05	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.692	-0.647
C2	0.000	0.462
F3	-1.985	-0.683
F4	-0.170	-1.830
F5	-0.604	1.627
Cl6	1.705	0.534

	C1	C2	F3	F4	F5	Cl6
C1		1.3070	1.2935	1.2925	2.2756	2.6722
C2	1.3070		2.2913	2.2975	1.3124	1.7065
F3	1.2935	2.2913		2.1467	2.6910	3.8854
F4	1.2925	2.2975	2.1467		3.4835	3.0172
F5	2.2756	1.3124	2.6910	3.4835		2.5544
Cl6	2.6722	1.7065	3.8854	3.0172	2.5544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.629	C1	C2	Cl6	124.406
C2	C1	F3	123.553	C2	C1	F4	124.218
F3	C1	F4	112.229	F5	C2	Cl6	114.964

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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