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	hartrees
Energy at 0K	-132.839243
Energy at 298.15K	-132.843198
HF Energy	-132.474637
Nuclear repulsion energy	64.418871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3010	7.20
2	A'	3152	2912	5.45
3	A'	3136	2897	21.32
4	A'	1962	1813	18.89
5	A'	1560	1441	11.00
6	A'	1481	1368	5.43
7	A'	1337	1235	3.10
8	A'	1131	1044	12.42
9	A'	970	896	1.28
10	A'	461	426	21.32
11	A"	3226	2980	10.32
12	A"	1560	1441	10.27
13	A"	1169	1080	0.78
14	A"	813	751	8.09
15	A"	192	178	2.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.484	0.000
C2	-0.830	-0.773	0.000
N3	1.235	0.505	0.000
H4	-0.538	1.439	0.000
H5	-0.188	-1.651	0.000
H6	-1.471	-0.794	0.882
H7	-1.471	-0.794	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5068	1.2356	1.0955	2.1439	2.1394	2.1394
C2	1.5068		2.4287	2.2311	1.0877	1.0908	1.0908
N3	1.2356	2.4287		2.0045	2.5833	3.1288	3.1288
H4	1.0955	2.2311	2.0045		3.1097	2.5757	2.5757
H5	2.1439	1.0877	2.5833	3.1097		1.7775	1.7775
H6	2.1394	1.0908	3.1288	2.5757	1.7775		1.7647
H7	2.1394	1.0908	3.1288	2.5757	1.7775	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.402	C1	C2	H6	109.857
C1	C2	H7	109.857	C2	C1	N3	124.356
C2	C1	H4	117.163	N3	C1	H4	118.482
H5	C2	H6	109.356	H5	C2	H7	109.356
H6	C2	H7	107.972

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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