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	hartrees
Energy at 0K	-177.752282
Energy at 298.15K
HF Energy	-177.752282
Nuclear repulsion energy	67.461874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3157	3.51
2	A'	3225	3085	12.06
3	A'	3201	3063	2.82
4	A'	1749	1673	99.89
5	A'	1436	1374	5.07
6	A'	1349	1290	1.78
7	A'	1201	1149	95.42
8	A'	955	914	28.07
9	A'	485	464	3.58
10	A"	979	936	26.78
11	A"	871	833	58.07
12	A"	736	704	0.87

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.189	-0.154
F3	-1.148	-0.265
H4	-0.176	1.503
H5	1.290	-1.234
H6	2.084	0.457

	C1	C2	F3	H4	H5	H6
C1		1.3244	1.3420	1.0870	2.1055	2.0841
C2	1.3244		2.3392	2.1461	1.0848	1.0839
F3	1.3420	2.3392		2.0176	2.6233	3.3115
H4	1.0870	2.1461	2.0176		3.1045	2.4898
H5	2.1055	1.0848	2.6233	3.1045		1.8682
H6	2.0841	1.0839	3.3115	2.4898	1.8682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.520	C1	C2	H6	119.523
C2	C1	F3	122.633	C2	C1	H4	125.462
F3	C1	H4	111.904	H5	C2	H6	118.957

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

using model chemistry: B3PW91/6-31G*

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	0.176
2	C	-0.439
3	F	-0.268
4	H	0.164
5	H	0.187
6	H	0.180

	x	y	z	Total
	0.970	0.765	0.000	1.235
CHELPG
AIM
ESP	0.965	0.738	0.000	1.215

	x	y	z
x	4.385	-0.520	0.000
y	-0.520	3.255	0.000
z	0.000	0.000	1.474

<r²>	42.763
(<r²>)^1/2	6.539

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

using model chemistry: B3PW91/6-31G*

States and conformations

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