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	hartrees
Energy at 0K	-132.874911
Energy at 298.15K	-132.878856
HF Energy	-132.474284
Nuclear repulsion energy	64.386277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3028	5.94
2	A'	3118	2926	5.07
3	A'	3093	2903	19.87
4	A'	2045	1919	41.95
5	A'	1539	1444	11.79
6	A'	1455	1366	6.07
7	A'	1320	1239	3.23
8	A'	1114	1046	12.06
9	A'	959	900	1.26
10	A'	455	427	21.47
11	A"	3194	2998	8.44
12	A"	1539	1444	10.79
13	A"	1165	1094	0.89
14	A"	808	759	8.12
15	A"	195	183	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.827	-0.779	0.000
N3	1.232	0.512	0.000
H4	-0.548	1.438	0.000
H5	-0.177	-1.655	0.000
H6	-1.469	-0.800	0.885
H7	-1.469	-0.800	-0.885

	C1	C2	N3	H4	H5	H6	H7
C1		1.5099	1.2322	1.0998	2.1466	2.1431	2.1431
C2	1.5099		2.4297	2.2346	1.0907	1.0938	1.0938
N3	1.2322	2.4297		2.0066	2.5839	3.1305	3.1305
H4	1.0998	2.2346	2.0066		3.1151	2.5776	2.5776
H5	2.1466	1.0907	2.5839	3.1151		1.7841	1.7841
H6	2.1431	1.0938	3.1305	2.5776	1.7841		1.7705
H7	2.1431	1.0938	3.1305	2.5776	1.7841	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.218	C1	C2	H6	109.756
C1	C2	H7	109.756	C2	C1	N3	124.450
C2	C1	H4	116.924	N3	C1	H4	118.625
H5	C2	H6	109.513	H5	C2	H7	109.513
H6	C2	H7	108.051

All results from a given calculation for CH₃CHN (methylmethaniminyl radical)

using model chemistry: MP3/6-31G*

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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All results from a given calculation for CH3CHN (methylmethaniminyl radical)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for CH₃CHN (methylmethaniminyl radical)