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	hartrees
Energy at 0K	-77.994729
Energy at 298.15K	-77.997427
HF Energy	-77.994729
Nuclear repulsion energy	31.887540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3033	8.07
2	A'	3209	2909	24.76
3	A'	3124	2831	29.07
4	A'	1588	1440	4.74
5	A'	1519	1377	0.43
6	A'	1204	1091	1.07
7	A'	1120	1015	1.15
8	A'	839	761	4.38
9	A"	3165	2869	34.02
10	A"	1585	1437	5.38
11	A"	1083	982	0.38
12	A"	219	198	22.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.862	0.000
C2	0.050	-0.619	0.000
H3	-0.754	1.571	0.000
H4	1.064	-0.999	0.000
H5	-0.452	-1.016	0.879
H6	-0.452	-1.016	-0.879

	C1	C2	H3	H4	H5	H6
C1		1.4810	1.0721	2.1199	2.1337	2.1337
C2	1.4810		2.3331	1.0835	1.0870	1.0870
H3	1.0721	2.3331		3.1488	2.7497	2.7497
H4	2.1199	1.0835	3.1488		1.7524	1.7524
H5	2.1337	1.0870	2.7497	1.7524		1.7571
H6	2.1337	1.0870	2.7497	1.7524	1.7571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.553	C1	C2	H5	111.463
C1	C2	H6	111.463	C2	C1	H3	131.422
H4	C2	H5	107.673	H4	C2	H6	107.673
H5	C2	H6	107.844

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: HF/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	-0.142
2	C	-0.130
3	H	0.082
4	H	0.068
5	H	0.061
6	H	0.061

	x	y	z	Total
	-0.506	-0.555	0.000	0.751
CHELPG
AIM
ESP

	x	y	z
x	3.124	-0.166	0.000
y	-0.166	3.874	0.000
z	0.000	0.000	3.024

<r²>	24.684
(<r²>)^1/2	4.968

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)