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	hartrees
Energy at 0K	-177.895756
Energy at 298.15K
HF Energy	-177.895756
Nuclear repulsion energy	67.486467

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'	3257	3154	3.15	42.89	0.70	0.82
2	A'	3190	3088	8.15	132.24	0.23	0.37
3	A'	3160	3060	1.14	55.89	0.15	0.26
4	A'	1706	1652	103.78	22.84	0.06	0.11
5	A'	1421	1376	5.09	4.47	0.48	0.65
6	A'	1337	1294	1.70	15.32	0.50	0.66
7	A'	1172	1135	96.41	1.77	0.16	0.28
8	A'	938	909	40.49	4.86	0.36	0.53
9	A'	478	463	3.88	1.72	0.62	0.77
10	A"	971	940	34.55	0.80	0.75	0.86
11	A"	884	856	45.50	2.20	0.75	0.86
12	A"	733	710	2.94	2.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.187	-0.144
F3	-1.145	-0.276
H4	-0.189	1.500
H5	1.297	-1.220
H6	2.074	0.474

	C1	C2	F3	H4	H5	H6
C1		1.3203	1.3472	1.0833	2.1010	2.0744
C2	1.3203		2.3364	2.1442	1.0816	1.0807
F3	1.3472	2.3364		2.0171	2.6177	3.3055
H4	1.0833	2.1442	2.0171		3.0993	2.4849
H5	2.1010	1.0816	2.6177	3.0993		1.8640
H6	2.0744	1.0807	3.3055	2.4849	1.8640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.709	C1	C2	H6	119.197
C2	C1	F3	122.293	C2	C1	H4	125.984
F3	C1	H4	111.723	H5	C2	H6	119.095

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

using model chemistry: TPSSh/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	0.128
2	C	-0.261
3	F	-0.176
4	H	0.086
5	H	0.113
6	H	0.110

	x	y	z	Total
	1.047	0.782	0.000	1.307
CHELPG
AIM
ESP

	x	y	z
x	4.858	-0.500	0.000
y	-0.500	3.660	0.000
z	0.000	0.000	2.372

<r²>	42.956
(<r²>)^1/2	6.554

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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