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	hartrees
Energy at 0K	-177.741851
Energy at 298.15K
HF Energy	-177.741851
Nuclear repulsion energy	67.638235

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'	3327	3150	2.15	43.25	0.71	0.83
2	A'	3252	3080	10.69	126.14	0.23	0.37
3	A'	3227	3056	2.07	38.56	0.18	0.31
4	A'	1782	1688	98.09	14.85	0.10	0.18
5	A'	1443	1366	6.50	3.15	0.61	0.76
6	A'	1351	1279	1.11	18.83	0.57	0.73
7	A'	1220	1155	98.30	2.76	0.12	0.21
8	A'	964	913	25.27	4.58	0.44	0.61
9	A'	484	459	4.11	1.38	0.67	0.80
10	A"	997	944	21.60	0.60	0.75	0.86
11	A"	905	857	61.28	0.78	0.75	0.86
12	A"	744	705	0.61	9.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.433
C2	1.184	-0.153
F3	-1.142	-0.267
H4	-0.178	1.504
H5	1.273	-1.233
H6	2.082	0.451

	C1	C2	F3	H4	H5	H6
C1		1.3208	1.3395	1.0853	2.0964	2.0819
C2	1.3208		2.3288	2.1441	1.0835	1.0821
F3	1.3395	2.3288		2.0162	2.6012	3.3030
H4	1.0853	2.1441	2.0162		3.0970	2.4927
H5	2.0964	1.0835	2.6012	3.0970		1.8677
H6	2.0819	1.0821	3.3030	2.4927	1.8677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.052	C1	C2	H6	119.763
C2	C1	F3	122.180	C2	C1	H4	125.746
F3	C1	H4	112.074	H5	C2	H6	119.185

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

using model chemistry: M06-2X/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	0.187
2	C	-0.425
3	F	-0.285
4	H	0.163
5	H	0.183
6	H	0.177

	x	y	z	Total
	1.034	0.803	0.000	1.310
CHELPG
AIM
ESP

	x	y	z
x	4.308	-0.535	0.000
y	-0.535	3.274	0.000
z	0.000	0.000	1.461

<r²>	42.610
(<r²>)^1/2	6.528

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

using model chemistry: M06-2X/6-31G*

States and conformations

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