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	hartrees
Energy at 0K	-835.785217
Energy at 298.15K
HF Energy	-835.312055
Nuclear repulsion energy	294.506733

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'	1841	1841	61.79	21.02	0.31	0.47
2	A'	1341	1341	181.05	0.14	0.55	0.71
3	A'	1220	1220	206.31	0.49	0.26	0.41
4	A'	1070	1070	236.56	4.24	0.21	0.35
5	A'	702	702	3.29	8.27	0.08	0.15
6	A'	522	522	1.02	1.34	0.72	0.84
7	A'	465	465	0.51	2.70	0.31	0.47
8	A'	342	342	1.38	2.28	0.59	0.74
9	A'	190	190	2.59	0.52	0.58	0.74
10	A"	576	576	1.87	8.38	0.75	0.86
11	A"	381	381	0.78	0.24	0.75	0.86
12	A"	172	172	0.07	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.676	-0.669
C2	0.000	0.472
F3	-1.990	-0.732
F4	-0.116	-1.857
F5	-0.650	1.634
Cl6	1.697	0.575

	C1	C2	F3	F4	F5	Cl6
C1		1.3256	1.3151	1.3135	2.3032	2.6792
C2	1.3256		2.3253	2.3313	1.3318	1.7002
F3	1.3151	2.3253		2.1853	2.7194	3.9115
F4	1.3135	2.3313	2.1853		3.5317	3.0333
F5	2.3032	1.3318	2.7194	3.5317		2.5747
Cl6	2.6792	1.7002	3.9115	3.0333	2.5747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.150	C1	C2	Cl6	124.147
C2	C1	F3	123.416	C2	C1	F4	124.104
F3	C1	F4	112.480	F5	C2	Cl6	115.703

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/Def2TZVPP

States and conformations

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