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	hartrees
Energy at 0K	-177.852192
Energy at 298.15K
HF Energy	-177.852192
Nuclear repulsion energy	66.944127

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'	3180	3170	3.52	45.46	0.70	0.82
2	A'	3113	3103	8.88	142.76	0.23	0.37
3	A'	3089	3080	1.39	55.43	0.16	0.27
4	A'	1648	1643	95.39	19.07	0.05	0.10
5	A'	1380	1375	4.22	4.68	0.45	0.63
6	A'	1300	1296	1.42	15.42	0.51	0.68
7	A'	1124	1121	84.55	1.58	0.24	0.38
8	A'	903	901	45.38	4.91	0.36	0.53
9	A'	473	472	3.79	1.85	0.62	0.76
10	A"	929	926	33.23	0.67	0.75	0.86
11	A"	849	846	42.14	1.63	0.75	0.86
12	A"	707	705	3.30	3.17	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.437
C2	1.198	-0.134
F3	-1.154	-0.289
H4	-0.201	1.507
H5	1.315	-1.214
H6	2.086	0.490

	C1	C2	F3	H4	H5	H6
C1		1.3269	1.3636	1.0882	2.1113	2.0863
C2	1.3269		2.3566	2.1559	1.0863	1.0855
F3	1.3636	2.3566		2.0335	2.6369	3.3320
H4	1.0882	2.1559	2.0335		3.1148	2.5022
H5	2.1113	1.0863	2.6369	3.1148		1.8700
H6	2.0863	1.0855	3.3320	2.5022	1.8700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.747	C1	C2	H6	119.386
C2	C1	F3	122.291	C2	C1	H4	126.135
F3	C1	H4	111.574	H5	C2	H6	118.866

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

using model chemistry: BLYP/cc-pVTZ

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	0.132
2	C	-0.260
3	F	-0.176
4	H	0.080
5	H	0.114
6	H	0.111

	x	y	z	Total
	1.052	0.775	0.000	1.306
CHELPG
AIM
ESP

	x	y	z
x	5.010	-0.479	0.000
y	-0.479	3.767	0.000
z	0.000	0.000	2.390

<r²>	43.650
(<r²>)^1/2	6.607

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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