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	hartrees
Energy at 0K	-177.850943
Energy at 298.15K
HF Energy	-177.850943
Nuclear repulsion energy	66.933631

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'	3175	3158	2.25	42.31	0.69	0.82
2	A'	3115	3098	6.05	126.69	0.23	0.37
3	A'	3085	3068	1.05	61.37	0.12	0.22
4	A'	1641	1632	102.75	35.87	0.03	0.06
5	A'	1376	1369	4.71	5.38	0.29	0.45
6	A'	1299	1292	1.50	16.51	0.39	0.57
7	A'	1116	1110	90.40	1.85	0.31	0.47
8	A'	899	894	54.25	5.41	0.33	0.50
9	A'	474	472	3.74	1.71	0.54	0.70
10	A"	927	922	35.66	0.87	0.75	0.86
11	A"	856	852	44.46	3.83	0.75	0.86
12	A"	705	701	5.11	0.30	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.439
C2	1.197	-0.133
F3	-1.153	-0.291
H4	-0.208	1.507
H5	1.319	-1.213
H6	2.084	0.492

	C1	C2	F3	H4	H5	H6
C1		1.3268	1.3648	1.0878	2.1137	2.0850
C2	1.3268		2.3553	2.1595	1.0863	1.0855
F3	1.3648	2.3553		2.0314	2.6380	3.3307
H4	1.0878	2.1595	2.0314		3.1187	2.5066
H5	2.1137	1.0863	2.6380	3.1187		1.8688
H6	2.0850	1.0855	3.3307	2.5066	1.8688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.996	C1	C2	H6	119.269
C2	C1	F3	122.093	C2	C1	H4	126.566
F3	C1	H4	111.341	H5	C2	H6	118.736

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.243
2	C	-0.390
3	F	-0.332
4	H	0.157
5	H	0.160
6	H	0.162

	x	y	z	Total
	1.182	0.796	0.000	1.425
CHELPG
AIM
ESP

	x	y	z
x	5.367	-0.432	0.000
y	-0.432	4.065	0.000
z	0.000	0.000	3.306

<r²>	43.802
(<r²>)^1/2	6.618

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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