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	hartrees
Energy at 0K	-835.151687
Energy at 298.15K
HF Energy	-833.660651
Nuclear repulsion energy	295.285813

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'	1849	1849	58.18	14.46	0.30	0.47
2	A'	1369	1369	183.00	0.08	0.48	0.64
3	A'	1247	1247	192.92	0.62	0.26	0.41
4	A'	1089	1089	230.25	2.97	0.22	0.36
5	A'	709	709	2.90	6.98	0.09	0.16
6	A'	525	525	1.10	1.26	0.71	0.83
7	A'	472	472	0.78	2.31	0.32	0.49
8	A'	344	344	1.31	2.07	0.60	0.75
9	A'	190	190	2.53	0.45	0.59	0.74
10	A"	579	579	1.86	6.87	0.75	0.86
11	A"	386	386	0.76	0.23	0.75	0.86
12	A"	175	175	0.07	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.671	-0.672
C2	0.000	0.475
F3	-1.981	-0.741
F4	-0.102	-1.852
F5	-0.656	1.631
Cl6	1.686	0.579

	C1	C2	F3	F4	F5	Cl6
C1		1.3282	1.3120	1.3103	2.3025	2.6682
C2	1.3282		2.3241	2.3290	1.3291	1.6897
F3	1.3120	2.3241		2.1831	2.7168	3.8974
F4	1.3103	2.3290	2.1831		3.5266	3.0175
F5	2.3025	1.3291	2.7168	3.5266		2.5676
Cl6	2.6682	1.6897	3.8974	3.0175	2.5676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.112	C1	C2	Cl6	123.852
C2	C1	F3	123.354	C2	C1	F4	123.934
F3	C1	F4	112.712	F5	C2	Cl6	116.036

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

using model chemistry: MP2=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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