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	hartrees
Energy at 0K	-177.784122
Energy at 298.15K
HF Energy	-177.578354
Nuclear repulsion energy	67.667901

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'	3292	3292	1.04	37.70	0.69	0.81
2	A'	3231	3231	4.87	107.56	0.23	0.37
3	A'	3191	3191	1.15	64.00	0.11	0.19
4	A'	1708	1708	109.51	36.53	0.03	0.06
5	A'	1424	1424	5.10	3.81	0.32	0.48
6	A'	1344	1344	2.57	17.02	0.38	0.55
7	A'	1176	1176	99.51	2.18	0.19	0.33
8	A'	944	944	44.19	4.95	0.30	0.46
9	A'	489	489	4.09	1.52	0.55	0.71
10	A"	975	975	32.21	1.10	0.75	0.86
11	A"	898	898	50.22	3.93	0.75	0.86
12	A"	737	737	4.55	0.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.184	-0.147
F3	-1.142	-0.273
H4	-0.186	1.497
H5	1.288	-1.220
H6	2.068	0.468

	C1	C2	F3	H4	H5	H6
C1		1.3189	1.3428	1.0794	2.0960	2.0687
C2	1.3189		2.3294	2.1400	1.0782	1.0771
F3	1.3428	2.3294		2.0116	2.6075	3.2946
H4	1.0794	2.1400	2.0116		3.0910	2.4779
H5	2.0960	1.0782	2.6075	3.0910		1.8602
H6	2.0687	1.0771	3.2946	2.4779	1.8602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.619	C1	C2	H6	119.054
C2	C1	F3	122.125	C2	C1	H4	126.034
F3	C1	H4	111.841	H5	C2	H6	119.327

All results from a given calculation for CH₂CHF (Ethene, fluoro-)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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 CH2CHF (Ethene, fluoro-)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CHF (Ethene, fluoro-)