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	hartrees
Energy at 0K	-835.611941
Energy at 298.15K
HF Energy	-835.240548
Nuclear repulsion energy	293.804776

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'	1850	1850	59.99	17.69	0.32	0.48
2	A'	1348	1348	184.55	0.12	0.25	0.41
3	A'	1224	1224	222.41	0.29	0.35	0.52
4	A'	1067	1067	255.17	3.37	0.17	0.29
5	A'	700	700	4.01	7.90	0.13	0.23
6	A'	521	521	1.06	1.86	0.72	0.84
7	A'	464	464	0.42	2.73	0.41	0.58
8	A'	343	343	1.54	2.76	0.64	0.78
9	A'	190	190	3.32	0.68	0.67	0.80
10	A"	571	571	3.41	12.05	0.75	0.86
11	A"	381	381	1.19	0.56	0.75	0.86
12	A"	172	172	0.07	0.10	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.688	-0.663
C2	0.000	0.473
F3	-2.003	-0.710
F4	-0.136	-1.856
F5	-0.632	1.646
Cl6	1.710	0.554

	C1	C2	F3	F4	F5	Cl6
C1		1.3275	1.3162	1.3149	2.3090	2.6888
C2	1.3275		2.3260	2.3330	1.3325	1.7119
F3	1.3162	2.3260		2.1909	2.7251	3.9222
F4	1.3149	2.3330	2.1909		3.5369	3.0363
F5	2.3090	1.3325	2.7251	3.5369		2.5841
Cl6	2.6888	1.7119	3.9222	3.0363	2.5841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.467	C1	C2	Cl6	123.930
C2	C1	F3	123.245	C2	C1	F4	123.999
F3	C1	F4	112.756	F5	C2	Cl6	115.603

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G*

States and conformations

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