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	hartrees
Energy at 0K	-37.226785
Energy at 298.15K
HF Energy	-37.226785
Nuclear repulsion energy	36.763493

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'	3252	3169	9.98	39.99	0.69	0.81
2	A'	3204	3123	8.72	119.87	0.28	0.44
3	A'	3137	3057	0.19	76.20	0.17	0.29
4	A'	1665	1623	86.24	22.10	0.06	0.12
5	A'	1411	1375	3.59	10.17	0.41	0.58
6	A'	1313	1280	0.16	16.77	0.55	0.71
7	A'	1121	1092	75.04	3.13	0.36	0.53
8	A'	891	868	50.96	7.07	0.32	0.49
9	A'	460	449	4.43	2.93	0.69	0.82
10	A"	957	932	78.57	0.81	0.75	0.86
11	A"	914	891	42.84	2.89	0.75	0.86
12	A"	701	683	3.35	5.34	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.460
C2	1.218	-0.103
F3	-1.167	-0.334
H4	-0.251	1.516
H5	1.347	-1.181
H6	2.099	0.531

	C1	C2	F3	H4	H5	H6
C1		1.3413	1.4113	1.0859	2.1230	2.1007
C2	1.3413		2.3955	2.1858	1.0859	1.0862
F3	1.4113	2.3955		2.0649	2.6528	3.3789
H4	1.0859	2.1858	2.0649		3.1351	2.5483
H5	2.1230	1.0859	2.6528	3.1351		1.8700
H6	2.1007	1.0862	3.3789	2.5483	1.8700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.666	C1	C2	H6	119.484
C2	C1	F3	120.961	C2	C1	H4	128.150
F3	C1	H4	110.890	H5	C2	H6	118.850

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

using model chemistry: B3LYP/CEP-121G

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	0.100
2	C	-0.307
3	F	-0.235
4	H	0.138
5	H	0.156
6	H	0.148

	x	y	z	Total
	1.748	1.156	0.000	2.095
CHELPG
AIM
ESP

	x	y	z
x	4.876	-0.511	0.000
y	-0.511	3.347	0.000
z	0.000	0.000	1.885

<r²>	38.328
(<r²>)^1/2	6.191

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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