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	hartrees
Energy at 0K	-177.846426
Energy at 298.15K
HF Energy	-177.846426
Nuclear repulsion energy	67.811657

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'	3290	3143	1.16	38.99	0.69	0.82
2	A'	3221	3077	6.85	116.89	0.23	0.37
3	A'	3187	3044	1.35	56.60	0.15	0.26
4	A'	1740	1662	116.37	32.09	0.06	0.11
5	A'	1422	1358	5.16	3.75	0.38	0.55
6	A'	1345	1284	1.78	16.07	0.47	0.64
7	A'	1192	1138	109.86	1.86	0.18	0.30
8	A'	954	911	40.83	4.60	0.33	0.50
9	A'	496	474	4.01	1.86	0.62	0.77
10	A"	985	941	26.27	1.56	0.75	0.86
11	A"	911	870	60.79	2.58	0.75	0.86
12	A"	742	709	4.32	1.44	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.181	-0.149
F3	-1.140	-0.270
H4	-0.181	1.497
H5	1.283	-1.224
H6	2.067	0.467

	C1	C2	F3	H4	H5	H6
C1		1.3153	1.3375	1.0824	2.0936	2.0678
C2	1.3153		2.3239	2.1362	1.0804	1.0792
F3	1.3375	2.3239		2.0107	2.6038	3.2907
H4	1.0824	2.1362	2.0107		3.0902	2.4729
H5	2.0936	1.0804	2.6038	3.0902		1.8644
H6	2.0678	1.0792	3.2907	2.4729	1.8644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.516	C1	C2	H6	119.111
C2	C1	F3	122.334	C2	C1	H4	125.709
F3	C1	H4	111.957	H5	C2	H6	119.373

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

using model chemistry: wB97X-D/Def2TZVPP

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	0.124
2	C	-0.230
3	F	-0.200
4	H	0.103
5	H	0.103
6	H	0.099

	x	y	z	Total
	1.092	0.803	0.000	1.355
CHELPG
AIM
ESP

	x	y	z
x	4.890	-0.533	0.000
y	-0.533	3.661	0.000
z	0.000	0.000	2.689

<r²>	42.668
(<r²>)^1/2	6.532

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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