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	hartrees
Energy at 0K	-176.855140
Energy at 298.15K
HF Energy	-176.855140
Nuclear repulsion energy	66.788507

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'	3286	3170	3.74	38.35	0.70	0.82
2	A'	3214	3102	11.85	121.34	0.23	0.37
3	A'	3193	3081	2.68	30.74	0.21	0.34
4	A'	1737	1676	75.18	10.69	0.09	0.17
5	A'	1484	1432	3.29	4.24	0.56	0.72
6	A'	1385	1337	0.83	18.01	0.62	0.77
7	A'	1189	1148	55.14	2.63	0.18	0.31
8	A'	961	927	25.10	5.12	0.37	0.54
9	A'	481	464	3.47	1.90	0.68	0.81
10	A"	1016	980	23.01	1.09	0.75	0.86
11	A"	937	904	81.84	1.53	0.75	0.86
12	A"	741	715	0.90	10.22	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.432
C2	1.203	-0.116
F3	-1.162	-0.302
H4	-0.180	1.500
H5	1.335	-1.190
H6	2.083	0.513

	C1	C2	F3	H4	H5	H6
C1		1.3218	1.3742	1.0836	2.1007	2.0849
C2	1.3218		2.3723	2.1271	1.0823	1.0816
F3	1.3742	2.3723		2.0526	2.6503	3.3459
H4	1.0836	2.1271	2.0526		3.0876	2.4693
H5	2.1007	1.0823	2.6503	3.0876		1.8598
H6	2.0849	1.0816	3.3459	2.4693	1.8598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.487	C1	C2	H6	120.002
C2	C1	F3	123.249	C2	C1	H4	124.028
F3	C1	H4	112.723	H5	C2	H6	118.511

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

using model chemistry: B3LYPultrafine/3-21G

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	0.113
2	C	-0.449
3	F	-0.276
4	H	0.198
5	H	0.212
6	H	0.202

	x	y	z	Total
	1.107	0.822	0.000	1.379
CHELPG
AIM
ESP

	x	y	z
x	4.182	-0.440	0.000
y	-0.440	2.955	0.000
z	0.000	0.000	0.978

<r²>	43.601
(<r²>)^1/2	6.603

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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