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	hartrees
Energy at 0K	-177.812098
Energy at 298.15K
HF Energy	-177.812098
Nuclear repulsion energy	67.665201

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'	3280	3280	4.98	40.99	0.70	0.82
2	A'	3220	3220	12.08	112.43	0.28	0.44
3	A'	3180	3180	1.26	54.06	0.19	0.32
4	A'	1749	1749	111.10	21.91	0.08	0.14
5	A'	1430	1430	4.76	3.13	0.51	0.68
6	A'	1348	1348	1.78	16.37	0.55	0.71
7	A'	1193	1193	109.80	1.52	0.21	0.35
8	A'	955	955	41.40	4.31	0.38	0.55
9	A'	493	493	4.30	1.95	0.68	0.81
10	A"	983	983	31.61	1.40	0.75	0.86
11	A"	894	894	67.42	2.35	0.75	0.86
12	A"	741	741	2.28	4.93	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.184	-0.148
F3	-1.143	-0.270
H4	-0.184	1.499
H5	1.286	-1.227
H6	2.077	0.464

	C1	C2	F3	H4	H5	H6
C1		1.3179	1.3398	1.0846	2.0970	2.0771
C2	1.3179		2.3303	2.1412	1.0833	1.0821
F3	1.3398	2.3303		2.0115	2.6102	3.3020
H4	1.0846	2.1412	2.0115		3.0964	2.4864
H5	2.0970	1.0833	2.6102	3.0964		1.8665
H6	2.0771	1.0821	3.3020	2.4864	1.8665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.376	C1	C2	H6	119.546
C2	C1	F3	122.514	C2	C1	H4	125.779
F3	C1	H4	111.708	H5	C2	H6	119.078

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.065
2	C	-0.528
3	F	-0.218
4	H	0.212
5	H	0.239
6	H	0.229

	x	y	z	Total
	1.116	0.864	0.000	1.411
CHELPG
AIM
ESP

	x	y	z
x	4.515	-0.568	0.000
y	-0.568	3.308	0.000
z	0.000	0.000	1.835

<r²>	42.763
(<r²>)^1/2	6.539

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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