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	hartrees
Energy at 0K	-176.677563
Energy at 298.15K
HF Energy	-176.677563
Nuclear repulsion energy	66.946734

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'	3311	3178	1.97	37.29	0.70	0.83
2	A'	3236	3107	11.37	116.82	0.23	0.38
3	A'	3213	3084	2.16	31.31	0.19	0.32
4	A'	1756	1686	79.47	11.58	0.10	0.18
5	A'	1481	1421	3.73	3.84	0.59	0.74
6	A'	1387	1331	0.75	17.02	0.63	0.77
7	A'	1203	1155	61.25	2.80	0.17	0.28
8	A'	970	931	22.15	4.92	0.38	0.55
9	A'	483	464	3.37	1.87	0.68	0.81
10	A"	1025	983	22.37	1.33	0.75	0.86
11	A"	949	911	96.66	1.70	0.75	0.86
12	A"	747	717	1.16	9.96	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.200	-0.120
F3	-1.159	-0.297
H4	-0.175	1.499
H5	1.328	-1.195
H6	2.081	0.508

	C1	C2	F3	H4	H5	H6
C1		1.3200	1.3684	1.0837	2.0987	2.0823
C2	1.3200		2.3658	2.1246	1.0826	1.0818
F3	1.3684	2.3658		2.0483	2.6445	3.3386
H4	1.0837	2.1246	2.0483		3.0855	2.4643
H5	2.0987	1.0826	2.6445	3.0855		1.8618
H6	2.0823	1.0818	3.3386	2.4643	1.8618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.427	C1	C2	H6	119.891
C2	C1	F3	123.280	C2	C1	H4	123.933
F3	C1	H4	112.786	H5	C2	H6	118.682

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

using model chemistry: HSEh1PBE/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	0.099
2	C	-0.506
3	F	-0.283
4	H	0.224
5	H	0.239
6	H	0.228

	x	y	z	Total
	1.138	0.846	0.000	1.418
CHELPG
AIM
ESP

	x	y	z
x	4.158	-0.453	0.000
y	-0.453	2.936	0.000
z	0.000	0.000	0.983

<r²>	43.431
(<r²>)^1/2	6.590

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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