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	hartrees
Energy at 0K	-176.969144
Energy at 298.15K
HF Energy	-176.969144
Nuclear repulsion energy	68.513859

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'	3404	3093	4.68	33.25	0.59	0.74
2	A'	3368	3059	4.26	90.28	0.31	0.47
3	A'	3309	3006	0.66	65.67	0.13	0.22
4	A'	1852	1682	133.58	70.73	0.04	0.08
5	A'	1538	1398	6.95	5.02	0.24	0.38
6	A'	1444	1312	3.88	24.19	0.29	0.45
7	A'	1276	1159	119.12	2.38	0.14	0.25
8	A'	1026	932	54.28	5.74	0.25	0.41
9	A'	528	480	5.04	1.46	0.59	0.74
10	A"	1083	984	20.11	4.16	0.75	0.86
11	A"	1025	932	76.39	5.25	0.75	0.86
12	A"	800	727	3.35	0.94	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.425
C2	1.169	-0.156
F3	-1.129	-0.258
H4	-0.167	1.483
H5	1.265	-1.223
H6	2.053	0.447

	C1	C2	F3	H4	H5	H6
C1		1.3052	1.3200	1.0710	2.0781	2.0531
C2	1.3052		2.3000	2.1143	1.0718	1.0703
F3	1.3200	2.3000		1.9896	2.5813	3.2593
H4	1.0710	2.1143	1.9896		3.0621	2.4499
H5	2.0781	1.0718	2.5813	3.0621		1.8469
H6	2.0531	1.0703	3.2593	2.4499	1.8469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.605	C1	C2	H6	119.274
C2	C1	F3	122.363	C2	C1	H4	125.414
F3	C1	H4	112.224	H5	C2	H6	119.121

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

using model chemistry: HF/aug-cc-pVQZ

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	0.130
2	C	-0.925
3	F	-0.624
4	H	0.602
5	H	0.490
6	H	0.327

	x	y	z	Total
	1.202	0.837	0.000	1.465
CHELPG
AIM
ESP

	x	y	z
x	4.870	-0.574	0.000
y	-0.574	3.815	0.000
z	0.000	0.000	3.175

<r²>	42.143
(<r²>)^1/2	6.492

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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