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	hartrees
Energy at 0K	-177.775495
Energy at 298.15K
HF Energy	-177.589552
Nuclear repulsion energy	67.591300

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'	3295	3295	1.37	38.36	0.68	0.81
2	A'	3232	3232	6.53	111.23	0.24	0.39
3	A'	3194	3194	0.91	66.45	0.14	0.25
4	A'	1712	1712	105.42	24.74	0.05	0.09
5	A'	1427	1427	5.11	4.07	0.35	0.52
6	A'	1345	1345	2.12	15.65	0.46	0.63
7	A'	1178	1178	98.39	1.85	0.20	0.34
8	A'	945	945	42.03	4.78	0.32	0.48
9	A'	488	488	4.07	1.88	0.62	0.76
10	A"	972	972	36.33	0.96	0.75	0.86
11	A"	890	890	46.47	2.60	0.75	0.86
12	A"	735	735	3.85	1.47	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	1.186	-0.146
F3	-1.143	-0.275
H4	-0.185	1.497
H5	1.289	-1.219
H6	2.070	0.470

	C1	C2	F3	H4	H5	H6
C1		1.3199	1.3452	1.0796	2.0960	2.0703
C2	1.3199		2.3329	2.1399	1.0784	1.0774
F3	1.3452	2.3329		2.0148	2.6091	3.2986
H4	1.0796	2.1399	2.0148		3.0907	2.4782
H5	2.0960	1.0784	2.6091	3.0907		1.8610
H6	2.0703	1.0774	3.2986	2.4782	1.8610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.521	C1	C2	H6	119.110
C2	C1	F3	122.166	C2	C1	H4	125.917
F3	C1	H4	111.917	H5	C2	H6	119.369

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

using model chemistry: B2PLYP/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	0.118
2	C	-0.213
3	F	-0.208
4	H	0.100
5	H	0.103
6	H	0.100

	x	y	z	Total
	1.139	0.823	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	4.877	-0.506	0.001
y	-0.506	3.650	0.000
z	0.001	0.000	2.673

<r²>	43.009
(<r²>)^1/2	6.558

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

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

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