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	hartrees
Energy at 0K	-78.367718
Energy at 298.15K	-78.370352
HF Energy	-78.297864
Nuclear repulsion energy	31.811910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3104	11.01
2	A'	3123	2964	15.36
3	A'	3017	2864	19.85
4	A'	1515	1438	5.05
5	A'	1443	1369	1.26
6	A'	1141	1083	1.31
7	A'	1108	1051	1.83
8	A'	797	756	10.25
9	A"	3065	2909	25.88
10	A"	1512	1436	5.59
11	A"	1029	976	1.62
12	A"	206	196	27.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.858	0.000
C2	0.049	-0.614	0.000
H3	-0.747	1.592	0.000
H4	1.073	-1.002	0.000
H5	-0.455	-1.027	0.886
H6	-0.455	-1.027	-0.886

	C1	C2	H3	H4	H5	H6
C1		1.4714	1.0823	2.1229	2.1430	2.1430
C2	1.4714		2.3445	1.0951	1.0999	1.0999
H3	1.0823	2.3445		3.1681	2.7805	2.7805
H4	2.1229	1.0951	3.1681		1.7659	1.7659
H5	2.1430	1.0999	2.7805	1.7659		1.7727
H6	2.1430	1.0999	2.7805	1.7659	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.761	C1	C2	H5	112.095
C1	C2	H6	112.095	C2	C1	H3	132.706
H4	C2	H5	107.119	H4	C2	H6	107.119
H5	C2	H6	107.375

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: B2PLYP/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	-0.174
2	C	-0.503
3	H	0.161
4	H	0.178
5	H	0.169
6	H	0.169

	x	y	z
x	2.599	-0.266	0.000
y	-0.266	3.517	0.000
z	0.000	0.000	2.310

<r²>	24.547
(<r²>)^1/2	4.954

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)