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	hartrees
Energy at 0K	-132.925756
Energy at 298.15K	-132.929684
HF Energy	-132.500656
Nuclear repulsion energy	64.328340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3030	8.26
2	A'	3065	2928	7.06
3	A'	3036	2900	21.63
4	A'	2001	1911	36.12
5	A'	1512	1444	14.41
6	A'	1432	1368	8.09
7	A'	1297	1238	3.85
8	A'	1096	1047	11.88
9	A'	942	900	1.25
10	A'	451	431	21.26
11	A"	3142	3001	10.86
12	A"	1511	1443	12.29
13	A"	1141	1090	1.27
14	A"	793	758	9.16
15	A"	191	183	2.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.825	-0.785	0.000
N3	1.229	0.519	0.000
H4	-0.549	1.441	0.000
H5	-0.173	-1.661	0.000
H6	-1.468	-0.809	0.886
H7	-1.468	-0.809	-0.886

	C1	C2	N3	H4	H5	H6	H7
C1		1.5144	1.2299	1.1025	2.1532	2.1483	2.1483
C2	1.5144		2.4333	2.2434	1.0918	1.0950	1.0950
N3	1.2299	2.4333		2.0030	2.5927	3.1346	3.1346
H4	1.1025	2.2434	2.0030		3.1251	2.5877	2.5877
H5	2.1532	1.0918	2.5927	3.1251		1.7848	1.7848
H6	2.1483	1.0950	3.1346	2.5877	1.7848		1.7719
H7	2.1483	1.0950	3.1346	2.5877	1.7848	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.366	C1	C2	H6	109.794
C1	C2	H7	109.794	C2	C1	N3	124.594
C2	C1	H4	117.152	N3	C1	H4	118.254
H5	C2	H6	109.412	H5	C2	H7	109.412
H6	C2	H7	108.024

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

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

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