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	hartrees
Energy at 0K	-177.686819
Energy at 298.15K
HF Energy	-177.686819
Nuclear repulsion energy	66.030944

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'	3246	3246	9.34	42.26	0.72	0.84
2	A'	3189	3189	13.39	123.36	0.25	0.40
3	A'	3145	3145	0.76	59.10	0.15	0.26
4	A'	1683	1683	72.71	11.96	0.09	0.16
5	A'	1427	1427	2.88	6.94	0.48	0.65
6	A'	1330	1330	0.29	15.80	0.60	0.75
7	A'	1127	1127	60.05	2.77	0.33	0.49
8	A'	902	902	37.69	5.77	0.37	0.54
9	A'	467	467	4.13	2.34	0.67	0.81
10	A"	953	953	46.49	0.56	0.75	0.86
11	A"	888	888	54.37	1.39	0.75	0.86
12	A"	703	703	1.09	9.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.449
C2	1.214	-0.104
F3	-1.167	-0.326
H4	-0.232	1.512
H5	1.356	-1.182
H6	2.096	0.532

	C1	C2	F3	H4	H5	H6
C1		1.3340	1.4011	1.0877	2.1211	2.0977
C2	1.3340		2.3912	2.1685	1.0872	1.0875
F3	1.4011	2.3912		2.0619	2.6640	3.3739
H4	1.0877	2.1685	2.0619		3.1271	2.5261
H5	2.1211	1.0872	2.6640	3.1271		1.8669
H6	2.0977	1.0875	3.3739	2.5261	1.8669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.007	C1	C2	H6	119.704
C2	C1	F3	121.895	C2	C1	H4	126.834
F3	C1	H4	111.271	H5	C2	H6	118.289

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

using model chemistry: B97D3/6-31G

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	0.169
2	C	-0.332
3	F	-0.306
4	H	0.153
5	H	0.163
6	H	0.153

	x	y	z	Total
	1.408	0.966	0.000	1.707
CHELPG
AIM
ESP

	x	y	z
x	4.532	-0.405	0.000
y	-0.405	3.153	0.000
z	0.000	0.000	1.234

<r²>	44.227
(<r²>)^1/2	6.650

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

using model chemistry: B97D3/6-31G

States and conformations

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