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	hartrees
Energy at 0K	-78.455948
Energy at 298.15K	-78.458580
HF Energy	-78.455948
Nuclear repulsion energy	31.812887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3100	7.31
2	A'	3110	2963	12.28
3	A'	2998	2856	23.02
4	A'	1473	1403	7.27
5	A'	1403	1336	3.24
6	A'	1121	1067	0.12
7	A'	1082	1030	2.58
8	A'	776	740	12.50
9	A"	3055	2910	19.83
10	A"	1466	1396	8.87
11	A"	1000	952	1.78
12	A"	212	201	40.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.858	0.000
C2	0.049	-0.616	0.000
H3	-0.749	1.595	0.000
H4	1.073	-1.007	0.000
H5	-0.458	-1.018	0.889
H6	-0.458	-1.018	-0.889

	C1	C2	H3	H4	H5	H6
C1		1.4740	1.0866	2.1272	2.1371	2.1371
C2	1.4740		2.3507	1.0956	1.0996	1.0996
H3	1.0866	2.3507		3.1763	2.7754	2.7754
H4	2.1272	1.0956	3.1763		1.7699	1.7699
H5	2.1371	1.0996	2.7754	1.7699		1.7781
H6	2.1371	1.0996	2.7754	1.7699	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.899	C1	C2	H5	111.450
C1	C2	H6	111.450	C2	C1	H3	132.689
H4	C2	H5	107.469	H4	C2	H6	107.469
H5	C2	H6	107.912

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.147
2	C	-0.543
3	H	0.159
4	H	0.183
5	H	0.174
6	H	0.174

	x	y	z	Total
	-0.648	-0.794	0.000	1.025
CHELPG
AIM
ESP

	x	y	z
x	3.012	-0.106	0.000
y	-0.106	4.098	0.000
z	0.000	0.000	3.038

<r²>	24.778
(<r²>)^1/2	4.978

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)