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	hartrees
Energy at 0K	-177.625014
Energy at 298.15K
HF Energy	-177.625014
Nuclear repulsion energy	67.584077

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'	3317	3152	2.58	41.86	0.72	0.84
2	A'	3241	3080	11.39	125.34	0.22	0.36
3	A'	3217	3057	2.39	36.46	0.19	0.32
4	A'	1763	1676	102.57	14.45	0.10	0.18
5	A'	1439	1367	5.42	2.86	0.58	0.74
6	A'	1352	1285	1.69	17.80	0.57	0.73
7	A'	1212	1152	97.93	2.81	0.11	0.20
8	A'	961	913	26.20	4.71	0.41	0.59
9	A'	486	462	3.59	1.47	0.67	0.80
10	A"	985	936	25.99	0.72	0.75	0.86
11	A"	878	834	60.22	1.27	0.75	0.86
12	A"	741	704	0.85	8.83	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.186	-0.156
F3	-1.145	-0.262
H4	-0.173	1.502
H5	1.283	-1.236
H6	2.083	0.452

	C1	C2	F3	H4	H5	H6
C1		1.3228	1.3382	1.0867	2.1028	2.0827
C2	1.3228		2.3340	2.1443	1.0846	1.0835
F3	1.3382	2.3340		2.0149	2.6166	3.3062
H4	1.0867	2.1443	2.0149		3.1018	2.4880
H5	2.1028	1.0846	2.6166	3.1018		1.8684
H6	2.0827	1.0835	3.3062	2.4880	1.8684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.413	C1	C2	H6	119.554
C2	C1	F3	122.586	C2	C1	H4	125.441
F3	C1	H4	111.973	H5	C2	H6	119.034

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

using model chemistry: PBE1PBE/6-31G*

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	0.175
2	C	-0.448
3	F	-0.269
4	H	0.168
5	H	0.191
6	H	0.184

	x	y	z	Total
	0.962	0.764	0.000	1.228
CHELPG
AIM
ESP

	x	y	z
x	4.360	-0.528	0.000
y	-0.528	3.243	0.000
z	0.000	0.000	1.473

<r²>	42.660
(<r²>)^1/2	6.531

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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