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	hartrees
Energy at 0K	-177.671939
Energy at 298.15K
HF Energy	-177.671939
Nuclear repulsion energy	67.044089

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'	3200	3171	2.70	46.91	0.72	0.83
2	A'	3120	3092	9.75	154.40	0.23	0.37
3	A'	3100	3072	3.06	36.19	0.23	0.38
4	A'	1664	1649	101.61	17.15	0.06	0.11
5	A'	1360	1348	4.13	3.21	0.53	0.69
6	A'	1288	1276	2.16	15.50	0.59	0.74
7	A'	1136	1126	97.64	1.84	0.22	0.35
8	A'	907	899	33.15	4.57	0.40	0.57
9	A'	468	464	3.64	1.89	0.67	0.80
10	A"	931	922	36.56	0.64	0.75	0.86
11	A"	829	821	49.76	1.39	0.75	0.86
12	A"	710	703	2.67	4.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	1.196	-0.147
F3	-1.153	-0.276
H4	-0.186	1.512
H5	1.299	-1.232
H6	2.092	0.472

	C1	C2	F3	H4	H5	H6
C1		1.3294	1.3544	1.0932	2.1132	2.0925
C2	1.3294		2.3525	2.1587	1.0902	1.0891
F3	1.3544	2.3525		2.0322	2.6325	3.3304
H4	1.0932	2.1587	2.0322		3.1201	2.5045
H5	2.1132	1.0902	2.6325	3.1201		1.8791
H6	2.0925	1.0891	3.3304	2.5045	1.8791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.385	C1	C2	H6	119.476
C2	C1	F3	122.456	C2	C1	H4	125.733
F3	C1	H4	111.811	H5	C2	H6	119.138

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	0.102
2	C	-0.288
3	F	-0.185
4	H	0.110
5	H	0.133
6	H	0.128

	x	y	z	Total
	0.985	0.776	0.000	1.254
CHELPG
AIM
ESP

	x	y	z
x	4.711	-0.521	0.000
y	-0.521	3.498	0.000
z	0.000	0.000	1.938

<r²>	43.417
(<r²>)^1/2	6.589

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-)