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	hartrees
Energy at 0K	-177.666293
Energy at 298.15K
HF Energy	-177.666293
Nuclear repulsion energy	67.031639

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'	3195	3162	5.31	45.88	0.71	0.83
2	A'	3119	3087	12.42	144.73	0.25	0.40
3	A'	3097	3065	3.60	39.58	0.22	0.36
4	A'	1670	1652	102.63	16.27	0.06	0.11
5	A'	1373	1359	4.14	3.07	0.51	0.68
6	A'	1295	1282	1.91	15.41	0.58	0.73
7	A'	1142	1130	96.78	1.74	0.24	0.38
8	A'	914	904	35.22	4.64	0.39	0.57
9	A'	470	465	3.57	1.94	0.67	0.80
10	A"	927	918	39.09	0.59	0.75	0.86
11	A"	815	806	53.18	1.49	0.75	0.86
12	A"	708	701	2.84	5.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.196	-0.147
F3	-1.154	-0.274
H4	-0.189	1.510
H5	1.304	-1.232
H6	2.095	0.471

	C1	C2	F3	H4	H5	H6
C1		1.3295	1.3537	1.0939	2.1155	2.0950
C2	1.3295		2.3542	2.1600	1.0912	1.0901
F3	1.3537	2.3542		2.0288	2.6388	3.3333
H4	1.0939	2.1600	2.0288		3.1232	2.5092
H5	2.1155	1.0912	2.6388	3.1232		1.8780
H6	2.0950	1.0901	3.3333	2.5092	1.8780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.523	C1	C2	H6	119.636
C2	C1	F3	122.660	C2	C1	H4	125.808
F3	C1	H4	111.532	H5	C2	H6	118.841

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

using model chemistry: PBEPBE/6-311G*

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	0.043
2	C	-0.496
3	F	-0.186
4	H	0.197
5	H	0.224
6	H	0.218

	x	y	z	Total
	0.989	0.781	0.000	1.260
CHELPG
AIM
ESP

	x	y	z
x	4.674	-0.516	0.000
y	-0.516	3.449	0.000
z	0.000	0.000	1.875

<r²>	43.466
(<r²>)^1/2	6.593

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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