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	hartrees
Energy at 0K	-176.789887
Energy at 298.15K
HF Energy	-176.789887
Nuclear repulsion energy	66.833848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3162	2.55
2	A'	3221	3090	11.69
3	A'	3199	3069	2.67
4	A'	1741	1671	78.39
5	A'	1476	1417	3.56
6	A'	1382	1326	0.92
7	A'	1195	1147	59.44
8	A'	964	925	22.80
9	A'	482	463	3.30
10	A"	1016	975	24.20
11	A"	940	902	93.89
12	A"	742	712	1.23

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.203	-0.119
F3	-1.162	-0.298
H4	-0.177	1.500
H5	1.334	-1.194
H6	2.083	0.512

	C1	C2	F3	H4	H5	H6
C1		1.3220	1.3712	1.0845	2.1019	2.0841
C2	1.3220		2.3710	2.1269	1.0832	1.0826
F3	1.3712	2.3710		2.0506	2.6516	3.3438
H4	1.0845	2.1269	2.0506		3.0890	2.4661
H5	2.1019	1.0832	2.6516	3.0890		1.8626
H6	2.0841	1.0826	3.3438	2.4661	1.8626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.520	C1	C2	H6	119.837
C2	C1	F3	123.358	C2	C1	H4	123.923
F3	C1	H4	112.719	H5	C2	H6	118.643

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

using model chemistry: B3PW91/3-21G*

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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Number	Element	Mulliken
1	C	0.096
2	C	-0.502
3	F	-0.279
4	H	0.222
5	H	0.237
6	H	0.226

	x	y	z	Total
	1.128	0.840	0.000	1.407
CHELPG
AIM
ESP

	x	y	z
x	4.181	-0.447	0.000
y	-0.447	2.951	0.000
z	0.000	0.000	0.987

<r²>	43.533
(<r²>)^1/2	6.598

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

using model chemistry: B3PW91/3-21G*

States and conformations

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