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	hartrees
Energy at 0K	-78.019346
Energy at 298.15K	-78.021958
HF Energy	-78.019346
Nuclear repulsion energy	31.698991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3067	10.27
2	A'	3119	2956	9.30
3	A'	3023	2865	12.24
4	A'	1539	1459	9.06
5	A'	1458	1382	11.27
6	A'	1137	1078	6.30
7	A'	1066	1010	1.21
8	A'	797	755	14.79
9	A"	3071	2910	17.13
10	A"	1537	1457	11.51
11	A"	1046	992	6.46
12	A"	189	179	34.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.863	0.000
C2	0.050	-0.620	0.000
H3	-0.759	1.588	0.000
H4	1.076	-1.006	0.000
H5	-0.457	-1.023	0.890
H6	-0.457	-1.023	-0.890

	C1	C2	H3	H4	H5	H6
C1		1.4831	1.0862	2.1325	2.1465	2.1465
C2	1.4831		2.3513	1.0968	1.1006	1.1006
H3	1.0862	2.3513		3.1777	2.7751	2.7751
H4	2.1325	1.0968	3.1777		1.7729	1.7729
H5	2.1465	1.1006	2.7751	1.7729		1.7798
H6	2.1465	1.1006	2.7751	1.7729	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.608	C1	C2	H5	111.502
C1	C2	H6	111.502	C2	C1	H3	131.844
H4	C2	H5	107.571	H4	C2	H6	107.571
H5	C2	H6	107.906

All results from a given calculation for CH₃CH (methylmethylene)

using model chemistry: wB97X-D/3-21G*

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	-0.189
2	C	-0.720
3	H	0.203
4	H	0.243
5	H	0.231
6	H	0.231

	x	y	z	Total
	-0.602	-0.681	0.000	0.909
CHELPG
AIM
ESP

	x	y	z
x	2.416	-0.277	0.000
y	-0.277	3.342	0.000
z	0.000	0.000	2.115

<r²>	24.625
(<r²>)^1/2	4.962

All results from a given calculation for CH3CH (methylmethylene)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CH₃CH (methylmethylene)