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	hartrees
Energy at 0K	-78.455021
Energy at 298.15K	-78.457605
HF Energy	-78.455021
Nuclear repulsion energy	31.851410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3115	7.05
2	A'	2984	2941	16.10
3	A'	2880	2839	30.13
4	A'	1424	1403	5.85
5	A'	1362	1342	1.82
6	A'	1096	1080	0.41
7	A'	1040	1025	2.80
8	A'	742	732	16.44
9	A"	2916	2874	29.30
10	A"	1421	1400	7.07
11	A"	976	962	1.24
12	A"	201	198	38.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.047	0.850	0.000
C2	0.047	-0.609	0.000
H3	-0.720	1.619	0.000
H4	1.073	-1.007	0.000
H5	-0.457	-1.030	0.891
H6	-0.457	-1.030	-0.891

	C1	C2	H3	H4	H5	H6
C1		1.4593	1.0859	2.1217	2.1409	2.1409
C2	1.4593		2.3564	1.1005	1.1063	1.1063
H3	1.0859	2.3564		3.1796	2.8075	2.8075
H4	2.1217	1.1005	3.1796		1.7699	1.7699
H5	2.1409	1.1063	2.8075	1.7699		1.7811
H6	2.1409	1.1063	2.8075	1.7699	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.187	C1	C2	H5	112.391
C1	C2	H6	112.391	C2	C1	H3	135.063
H4	C2	H5	106.649	H4	C2	H6	106.649
H5	C2	H6	107.211

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: B97D3/TZVP

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	-0.243
2	C	-0.268
3	H	0.139
4	H	0.131
5	H	0.120
6	H	0.120

	x	y	z	Total
	-0.601	-0.788	0.000	0.991
CHELPG
AIM
ESP

	x	y	z
x	3.156	-0.154	0.000
y	-0.154	4.444	0.000
z	0.000	0.000	3.076

<r²>	24.720
(<r²>)^1/2	4.972

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)