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	hartrees
Energy at 0K	-133.322842
Energy at 298.15K	-133.326698
HF Energy	-133.322842
Nuclear repulsion energy	63.889183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3042	9.63
2	A'	3040	2934	9.35
3	A'	2974	2870	21.74
4	A'	1721	1661	1.04
5	A'	1486	1434	7.57
6	A'	1387	1339	1.16
7	A'	1249	1205	1.59
8	A'	1048	1011	9.64
9	A'	907	876	2.84
10	A'	417	402	16.96
11	A"	3106	2997	11.74
12	A"	1492	1440	6.53
13	A"	1065	1028	0.39
14	A"	741	715	8.15
15	A"	198	191	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.844	-0.767	0.000
N3	1.255	0.493	0.000
H4	-0.531	1.452	0.000
H5	-0.207	-1.653	0.000
H6	-1.490	-0.785	0.885
H7	-1.490	-0.785	-0.885

	C1	C2	N3	H4	H5	H6	H7
C1		1.5127	1.2546	1.1002	2.1512	2.1499	2.1499
C2	1.5127		2.4479	2.2409	1.0912	1.0954	1.0954
N3	1.2546	2.4479		2.0265	2.5965	3.1538	3.1538
H4	1.1002	2.2409	2.0265		3.1217	2.5891	2.5891
H5	2.1512	1.0912	2.5965	3.1217		1.7840	1.7840
H6	2.1499	1.0954	3.1538	2.5891	1.7840		1.7692
H7	2.1499	1.0954	3.1538	2.5891	1.7840	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.366	C1	C2	H6	110.008
C1	C2	H7	110.008	C2	C1	N3	124.137
C2	C1	H4	117.236	N3	C1	H4	118.627
H5	C2	H6	109.349	H5	C2	H7	109.349
H6	C2	H7	107.713

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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