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	hartrees
Energy at 0K	-831.214548
Energy at 298.15K
HF Energy	-830.985555
Nuclear repulsion energy	290.651840

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'	1848	1848	35.45	8.81	0.36	0.53
2	A'	1371	1371	107.09	0.30	0.58	0.73
3	A'	1237	1237	127.73	0.09	0.42	0.59
4	A'	1044	1044	166.82	2.95	0.18	0.31
5	A'	676	676	5.52	8.87	0.14	0.25
6	A'	512	512	1.13	2.24	0.75	0.86
7	A'	447	447	0.82	2.75	0.35	0.51
8	A'	327	327	0.96	3.00	0.67	0.81
9	A'	190	190	4.49	0.45	0.65	0.79
10	A"	604	604	4.39	13.92	0.75	0.86
11	A"	393	393	2.85	0.16	0.75	0.86
12	A"	174	174	0.06	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.696	-0.635
C2	0.000	0.492
F3	-2.045	-0.685
F4	-0.125	-1.855
F5	-0.612	1.711
Cl6	1.718	0.489

	C1	C2	F3	F4	F5	Cl6
C1		1.3238	1.3502	1.3472	2.3475	2.6621
C2	1.3238		2.3594	2.3499	1.3644	1.7178
F3	1.3502	2.3594		2.2485	2.7925	3.9416
F4	1.3472	2.3499	2.2485		3.5993	2.9811
F5	2.3475	1.3644	2.7925	3.5993		2.6306
Cl6	2.6621	1.7178	3.9416	2.9811	2.6306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.670	C1	C2	Cl6	121.605
C2	C1	F3	123.847	C2	C1	F4	123.221
F3	C1	F4	112.932	F5	C2	Cl6	116.725

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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