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	hartrees
Energy at 0K	-834.596076
Energy at 298.15K
HF Energy	-833.584403
Nuclear repulsion energy	294.095638

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'	1852	1760	56.15	11.39	0.31	0.47
2	A'	1371	1303	185.84	0.12	0.38	0.55
3	A'	1248	1186	205.58	0.50	0.37	0.55
4	A'	1087	1033	249.74	2.17	0.17	0.29
5	A'	707	672	2.99	6.45	0.14	0.25
6	A'	525	499	1.17	1.78	0.72	0.84
7	A'	473	449	0.74	2.31	0.44	0.61
8	A'	347	330	1.51	2.52	0.65	0.79
9	A'	193	183	3.26	0.61	0.67	0.81
10	A"	569	541	3.52	10.34	0.75	0.86
11	A"	385	366	1.23	0.55	0.75	0.86
12	A"	175	166	0.09	0.10	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.680	-0.671
C2	0.000	0.476
F3	-1.994	-0.729
F4	-0.115	-1.857
F5	-0.649	1.640
Cl6	1.699	0.569

	C1	C2	F3	F4	F5	Cl6
C1		1.3335	1.3152	1.3138	2.3112	2.6831
C2	1.3335		2.3294	2.3361	1.3324	1.7020
F3	1.3152	2.3294		2.1917	2.7239	3.9145
F4	1.3138	2.3361	2.1917		3.5376	3.0295
F5	2.3112	1.3324	2.7239	3.5376		2.5807
Cl6	2.6831	1.7020	3.9145	3.0295	2.5807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.220	C1	C2	Cl6	123.781
C2	C1	F3	123.160	C2	C1	F4	123.880
F3	C1	F4	112.960	F5	C2	Cl6	115.999

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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