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	hartrees
Energy at 0K	-834.386091
Energy at 298.15K
HF Energy	-833.474134
Nuclear repulsion energy	292.394390

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'	1855	1745	46.38	12.95	0.34	0.51
2	A'	1340	1261	190.06	0.12	0.48	0.64
3	A'	1223	1150	198.75	0.91	0.36	0.53
4	A'	1077	1013	241.65	2.48	0.28	0.44
5	A'	696	654	2.37	8.26	0.09	0.16
6	A'	512	482	1.47	1.64	0.75	0.85
7	A'	465	437	1.60	2.30	0.34	0.50
8	A'	341	321	1.46	2.34	0.58	0.73
9	A'	189	178	3.06	0.41	0.66	0.79
10	A"	521	490	2.91	8.07	0.75	0.86
11	A"	369	347	1.67	0.17	0.75	0.86
12	A"	170	160	0.10	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.663	-0.689
C2	0.000	0.469
F3	-1.990	-0.776
F4	-0.069	-1.879
F5	-0.692	1.627
Cl6	1.690	0.622

	C1	C2	F3	F4	F5	Cl6
C1		1.3342	1.3298	1.3302	2.3158	2.6936
C2	1.3342		2.3476	2.3487	1.3490	1.6972
F3	1.3298	2.3476		2.2150	2.7314	3.9369
F4	1.3302	2.3487	2.2150		3.5606	3.0569
F5	2.3158	1.3490	2.7314	3.5606		2.5860
Cl6	2.6936	1.6972	3.9369	3.0569	2.5860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.329	C1	C2	Cl6	124.954
C2	C1	F3	123.586	C2	C1	F4	123.652
F3	C1	F4	112.761	F5	C2	Cl6	115.717

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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