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	hartrees
Energy at 0K	-176.773034
Energy at 298.15K
HF Energy	-176.773034
Nuclear repulsion energy	66.931272

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'	3320	3144	1.05	31.65	0.66	0.79
2	A'	3268	3095	8.28	94.51	0.28	0.44
3	A'	3228	3058	1.47	48.96	0.13	0.24
4	A'	1774	1680	71.98	12.44	0.10	0.19
5	A'	1487	1408	3.37	3.46	0.61	0.76
6	A'	1390	1317	0.41	17.63	0.62	0.76
7	A'	1210	1146	60.82	2.65	0.20	0.33
8	A'	976	924	21.86	4.62	0.39	0.56
9	A'	482	456	3.89	1.87	0.68	0.81
10	A"	1042	987	13.44	1.52	0.75	0.86
11	A"	982	931	99.11	1.34	0.75	0.86
12	A"	750	710	0.62	10.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	1.199	-0.115
F3	-1.157	-0.304
H4	-0.186	1.500
H5	1.322	-1.190
H6	2.081	0.510

	C1	C2	F3	H4	H5	H6
C1		1.3189	1.3725	1.0812	2.0946	2.0820
C2	1.3189		2.3630	2.1272	1.0817	1.0808
F3	1.3725	2.3630		2.0487	2.6325	3.3380
H4	1.0812	2.1272	2.0487		3.0835	2.4732
H5	2.0946	1.0817	2.6325	3.0835		1.8609
H6	2.0820	1.0808	3.3380	2.4732	1.8609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.198	C1	C2	H6	120.043
C2	C1	F3	122.793	C2	C1	H4	124.528
F3	C1	H4	112.680	H5	C2	H6	118.760

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

using model chemistry: M06-2X/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	0.115
2	C	-0.474
3	F	-0.302
4	H	0.215
5	H	0.229
6	H	0.217

	x	y	z	Total
	1.285	0.911	0.000	1.575
CHELPG
AIM
ESP

	x	y	z
x	4.055	-0.466	0.000
y	-0.466	2.901	0.000
z	0.000	0.000	0.958

<r²>	43.456
(<r²>)^1/2	6.592

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

using model chemistry: M06-2X/3-21G*

States and conformations

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