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	hartrees
Energy at 0K	-78.511077
Energy at 298.15K	-78.513664
HF Energy	-78.511077
Nuclear repulsion energy	31.945360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3093	5.08
2	A'	3047	2933	10.95
3	A'	2946	2836	22.62
4	A'	1451	1397	6.11
5	A'	1389	1337	1.89
6	A'	1104	1063	0.11
7	A'	1070	1030	1.83
8	A'	761	732	11.34
9	A"	2980	2869	20.03
10	A"	1451	1396	6.64
11	A"	995	958	1.10
12	A"	192	184	32.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.854	0.000
C2	0.049	-0.614	0.000
H3	-0.741	1.594	0.000
H4	1.069	-1.006	0.000
H5	-0.457	-1.016	0.886
H6	-0.457	-1.016	-0.886

	C1	C2	H3	H4	H5	H6
C1		1.4678	1.0818	2.1210	2.1302	2.1302
C2	1.4678		2.3444	1.0924	1.0969	1.0969
H3	1.0818	2.3444		3.1670	2.7704	2.7704
H4	2.1210	1.0924	3.1670		1.7644	1.7644
H5	2.1302	1.0969	2.7704	1.7644		1.7728
H6	2.1302	1.0969	2.7704	1.7644	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.025	C1	C2	H5	111.494
C1	C2	H6	111.494	C2	C1	H3	133.138
H4	C2	H5	107.402	H4	C2	H6	107.402
H5	C2	H6	107.818

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: B3LYP/Def2TZVPP

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	-0.222
2	C	-0.192
3	H	0.129
4	H	0.096
5	H	0.094
6	H	0.094

	x	y	z	Total
	-0.559	-0.751	0.000	0.936
CHELPG
AIM
ESP

	x	y	z
x	3.326	-0.136	0.000
y	-0.136	4.509	0.000
z	0.000	0.000	3.268

<r²>	24.709
(<r²>)^1/2	4.971

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)