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	hartrees
Energy at 0K	-176.803260
Energy at 298.15K
HF Energy	-176.803260
Nuclear repulsion energy	66.220242

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'	3201	3184	5.84	41.19	0.72	0.83
2	A'	3121	3104	6.67	135.86	0.16	0.28
3	A'	3105	3088	12.60	22.19	0.75	0.86
4	A'	1670	1661	71.52	8.78	0.09	0.17
5	A'	1446	1438	3.12	4.02	0.55	0.71
6	A'	1349	1342	1.30	18.33	0.63	0.77
7	A'	1150	1143	46.88	2.78	0.19	0.32
8	A'	928	923	23.17	5.56	0.38	0.55
9	A'	468	465	2.92	1.91	0.68	0.81
10	A"	974	968	28.81	0.62	0.75	0.86
11	A"	875	870	66.54	1.22	0.75	0.86
12	A"	717	713	1.31	10.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	1.215	-0.116
F3	-1.173	-0.304
H4	-0.178	1.511
H5	1.353	-1.197
H6	2.098	0.520

	C1	C2	F3	H4	H5	H6
C1		1.3333	1.3861	1.0922	2.1187	2.0997
C2	1.3333		2.3952	2.1423	1.0895	1.0889
F3	1.3861	2.3952		2.0703	2.6790	3.3735
H4	1.0922	2.1423	2.0703		3.1111	2.4826
H5	2.1187	1.0895	2.6790	3.1111		1.8722
H6	2.0997	1.0889	3.3735	2.4826	1.8722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.648	C1	C2	H6	119.850
C2	C1	F3	123.461	C2	C1	H4	123.768
F3	C1	H4	112.771	H5	C2	H6	118.502

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

using model chemistry: BLYP/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	0.092
2	C	-0.412
3	F	-0.237
4	H	0.179
5	H	0.192
6	H	0.185

	x	y	z	Total
	0.943	0.729	0.000	1.192
CHELPG
AIM
ESP

	x	y	z
x	4.294	-0.400	0.000
y	-0.400	3.042	0.000
z	0.000	0.000	1.001

<r²>	44.202
(<r²>)^1/2	6.648

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

using model chemistry: BLYP/3-21G

States and conformations

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