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	hartrees
Energy at 0K	-78.424245
Energy at 298.15K	-78.426830
HF Energy	-78.424245
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3110	12.89
2	A'	3003	2944	19.81
3	A'	2895	2838	31.84
4	A'	1457	1429	4.85
5	A'	1389	1361	0.79
6	A'	1106	1085	0.85
7	A'	1062	1041	3.59
8	A'	756	741	15.92
9	A"	2936	2878	36.93
10	A"	1456	1427	4.80
11	A"	991	972	1.80
12	A"	199	196	32.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.856	0.000
C2	0.048	-0.611	0.000
H3	-0.738	1.611	0.000
H4	1.078	-1.009	0.000
H5	-0.457	-1.035	0.893
H6	-0.457	-1.035	-0.893

	C1	C2	H3	H4	H5	H6
C1		1.4676	1.0896	2.1306	2.1513	2.1513
C2	1.4676		2.3575	1.1038	1.1095	1.1095
H3	1.0896	2.3575		3.1877	2.8069	2.8069
H4	2.1306	1.1038	3.1877		1.7755	1.7755
H5	2.1513	1.1095	2.8069	1.7755		1.7853
H6	2.1513	1.1095	2.8069	1.7755	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.047	C1	C2	H5	111.748
C1	C2	H6	111.748	C2	C1	H3	132.773
H4	C2	H5	107.191	H4	C2	H6	107.191
H5	C2	H6	107.671

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: B97D3/6-31G*

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	-0.187
2	C	-0.480
3	H	0.156
4	H	0.177
5	H	0.167
6	H	0.167

	x	y	z	Total
	-0.542	-0.675	0.000	0.866
CHELPG
AIM
ESP

	x	y	z
x	2.655	-0.275	0.000
y	-0.275	3.814	0.000
z	0.000	0.000	2.391

<r²>	24.561
(<r²>)^1/2	4.956

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)