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	hartrees
Energy at 0K	-177.672051
Energy at 298.15K
HF Energy	-177.523779
Nuclear repulsion energy	67.148754

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'	3325	3167	1.73	39.79	0.70	0.82
2	A'	3271	3116	6.00	105.55	0.28	0.44
3	A'	3222	3069	0.84	70.48	0.16	0.27
4	A'	1719	1637	104.73	35.10	0.04	0.08
5	A'	1431	1363	6.29	5.35	0.39	0.56
6	A'	1344	1280	1.03	16.97	0.44	0.61
7	A'	1166	1111	106.42	2.70	0.23	0.37
8	A'	937	892	49.01	5.28	0.41	0.58
9	A'	482	459	4.03	2.06	0.67	0.81
10	A"	962	916	47.36	1.06	0.75	0.86
11	A"	881	839	52.77	4.48	0.75	0.86
12	A"	724	690	3.74	1.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.441
C2	1.193	-0.139
F3	-1.148	-0.287
H4	-0.203	1.504
H5	1.299	-1.215
H6	2.079	0.479

	C1	C2	F3	H4	H5	H6
C1		1.3267	1.3597	1.0816	2.1050	2.0797
C2	1.3267		2.3460	2.1559	1.0811	1.0805
F3	1.3597	2.3460		2.0245	2.6176	3.3173
H4	1.0816	2.1559	2.0245		3.1061	2.5021
H5	2.1050	1.0811	2.6176	3.1061		1.8649
H6	2.0797	1.0805	3.3173	2.5021	1.8649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.574	C1	C2	H6	119.177
C2	C1	F3	121.685	C2	C1	H4	126.772
F3	C1	H4	111.543	H5	C2	H6	119.249

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

using model chemistry: B2PLYP/6-31+G**

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	0.161
2	C	-0.302
3	F	-0.315
4	H	0.147
5	H	0.160
6	H	0.149

	x	y	z	Total
	1.343	0.933	0.000	1.636
CHELPG
AIM
ESP

	x	y	z
x	4.908	-0.555	0.002
y	-0.555	3.538	0.000
z	0.002	0.000	2.668

<r²>	43.503
(<r²>)^1/2	6.596

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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