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	hartrees
Energy at 0K	-132.879483
Energy at 298.15K	-132.883418
HF Energy	-132.474308
Nuclear repulsion energy	64.290735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3030	6.76
2	A'	3093	2928	5.72
3	A'	3069	2904	20.69
4	A'	2016	1908	32.61
5	A'	1532	1450	11.00
6	A'	1451	1373	5.67
7	A'	1314	1244	3.05
8	A'	1110	1050	11.95
9	A'	956	904	1.18
10	A'	453	429	21.05
11	A"	3170	3000	9.51
12	A"	1532	1450	10.29
13	A"	1158	1096	0.86
14	A"	804	761	7.86
15	A"	192	182	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.828	-0.779	0.000
N3	1.234	0.512	0.000
H4	-0.548	1.440	0.000
H5	-0.178	-1.658	0.000
H6	-1.471	-0.801	0.887
H7	-1.471	-0.801	-0.887

	C1	C2	N3	H4	H5	H6	H7
C1		1.5111	1.2344	1.1017	2.1499	2.1462	2.1462
C2	1.5111		2.4332	2.2370	1.0927	1.0958	1.0958
N3	1.2344	2.4332		2.0097	2.5891	3.1356	3.1356
H4	1.1017	2.2370	2.0097		3.1199	2.5814	2.5814
H5	2.1499	1.0927	2.5891	3.1199		1.7865	1.7865
H6	2.1462	1.0958	3.1356	2.5814	1.7865		1.7735
H7	2.1462	1.0958	3.1356	2.5814	1.7865	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.280	C1	C2	H6	109.802
C1	C2	H7	109.802	C2	C1	N3	124.501
C2	C1	H4	116.910	N3	C1	H4	118.589
H5	C2	H6	109.436	H5	C2	H7	109.436
H6	C2	H7	108.048

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

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

States and conformations

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