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	hartrees
Energy at 0K	-823.629371
Energy at 298.15K
HF Energy	-823.443644
Nuclear repulsion energy	283.104339

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'	1817	1585	10.54	1.34	0.72	0.84
2	A'	1504	1312	18.12	0.27	0.28	0.44
3	A'	1364	1189	84.45	1.56	0.39	0.56
4	A'	1101	960	95.07	1.06	0.57	0.73
5	A'	696	607	7.14	6.11	0.17	0.29
6	A'	490	427	1.74	2.55	0.70	0.82
7	A'	448	391	2.57	2.46	0.33	0.50
8	A'	309	269	0.60	2.79	0.65	0.79
9	A'	159	139	1.93	0.38	0.69	0.82
10	A"	477	416	3.54	4.71	0.75	0.86
11	A"	353	308	2.23	0.88	0.75	0.86
12	A"	169	147	0.19	0.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.769	-0.617
C2	0.000	0.523
F3	-2.137	-0.590
F4	-0.248	-1.878
F5	-0.509	1.790
Cl6	1.804	0.392

	C1	C2	F3	F4	F5	Cl6
C1		1.3752	1.3685	1.3646	2.4208	2.7633
C2	1.3752		2.4098	2.4144	1.3652	1.8084
F3	1.3685	2.4098		2.2861	2.8836	4.0613
F4	1.3646	2.4144	2.2861		3.6775	3.0603
F5	2.4208	1.3652	2.8836	3.6775		2.7025
Cl6	2.7633	1.8084	4.0613	3.0603	2.7025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	124.104	C1	C2	Cl6	119.832
C2	C1	F3	122.877	C2	C1	F4	123.587
F3	C1	F4	113.536	F5	C2	Cl6	116.064

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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