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	hartrees
Energy at 0K	-177.619927
Energy at 298.15K
HF Energy	-177.619927
Nuclear repulsion energy	66.979741

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'	3224	3180	2.89	45.26	0.73	0.84
2	A'	3135	3092	7.36	153.80	0.17	0.29
3	A'	3118	3075	8.01	18.31	0.64	0.78
4	A'	1686	1663	94.54	11.43	0.08	0.16
5	A'	1380	1361	4.38	2.68	0.59	0.74
6	A'	1301	1283	2.46	18.51	0.59	0.74
7	A'	1160	1144	86.55	3.17	0.12	0.21
8	A'	918	906	23.36	5.13	0.43	0.60
9	A'	468	462	3.13	1.47	0.66	0.80
10	A"	937	924	27.19	0.34	0.75	0.86
11	A"	816	805	47.38	0.63	0.75	0.86
12	A"	712	702	0.96	8.95	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.197	-0.155
F3	-1.156	-0.267
H4	-0.175	1.515
H5	1.300	-1.241
H6	2.097	0.461

	C1	C2	F3	H4	H5	H6
C1		1.3339	1.3520	1.0953	2.1200	2.0973
C2	1.3339		2.3561	2.1609	1.0915	1.0905
F3	1.3520	2.3561		2.0344	2.6421	3.3339
H4	1.0953	2.1609	2.0344		3.1258	2.5042
H5	2.1200	1.0915	2.6421	3.1258		1.8801
H6	2.0973	1.0905	3.3339	2.5042	1.8801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.560	C1	C2	H6	119.439
C2	C1	F3	122.615	C2	C1	H4	125.349
F3	C1	H4	112.036	H5	C2	H6	119.000

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

using model chemistry: PBEPBEultrafine/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	0.184
2	C	-0.308
3	F	-0.236
4	H	0.107
5	H	0.129
6	H	0.124

	x	y	z	Total
	0.848	0.687	0.000	1.092
CHELPG
AIM
ESP

	x	y	z
x	4.526	-0.489	0.000
y	-0.489	3.389	0.000
z	0.000	0.000	1.530

<r²>	43.267
(<r²>)^1/2	6.578

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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