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	hartrees
Energy at 0K	-78.475837
Energy at 298.15K	-78.478478
HF Energy	-78.475837
Nuclear repulsion energy	31.940133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3090	6.58
2	A'	3089	2953	11.42
3	A'	2988	2856	20.21
4	A'	1466	1401	6.19
5	A'	1394	1333	2.73
6	A'	1116	1067	0.21
7	A'	1078	1030	1.86
8	A'	773	739	11.26
9	A"	3037	2903	19.24
10	A"	1457	1393	7.14
11	A"	1000	956	1.13
12	A"	218	208	30.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.854	0.000
C2	0.049	-0.614	0.000
H3	-0.746	1.588	0.000
H4	1.069	-1.004	0.000
H5	-0.456	-1.014	0.886
H6	-0.456	-1.014	-0.886

	C1	C2	H3	H4	H5	H6
C1		1.4682	1.0824	2.1198	2.1284	2.1284
C2	1.4682		2.3415	1.0917	1.0956	1.0956
H3	1.0824	2.3415		3.1648	2.7640	2.7640
H4	2.1198	1.0917	3.1648		1.7637	1.7637
H5	2.1284	1.0956	2.7640	1.7637		1.7719
H6	2.1284	1.0956	2.7640	1.7637	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.949	C1	C2	H5	111.404
C1	C2	H6	111.404	C2	C1	H3	132.692
H4	C2	H5	107.483	H4	C2	H6	107.483
H5	C2	H6	107.929

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: wB97X-D/cc-pVTZ

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	-0.226
2	C	-0.197
3	H	0.137
4	H	0.099
5	H	0.093
6	H	0.093

	x	y	z	Total
	-0.547	-0.709	0.000	0.896
CHELPG
AIM
ESP

	x	y	z
x	3.205	-0.167	0.000
y	-0.167	4.275	0.000
z	0.000	0.000	3.052

<r²>	24.529
(<r²>)^1/2	4.953

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)