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	hartrees
Energy at 0K	-132.845310
Energy at 298.15K	-132.849261
HF Energy	-132.473949
Nuclear repulsion energy	64.504804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3059	4.07
2	A'	3124	2946	4.43
3	A'	3085	2909	17.68
4	A'	2121	2000	65.11
5	A'	1542	1454	12.21
6	A'	1451	1368	5.84
7	A'	1312	1237	3.24
8	A'	1108	1045	11.60
9	A'	958	904	1.37
10	A'	450	424	21.78
11	A"	3212	3029	5.97
12	A"	1543	1455	11.03
13	A"	1174	1107	0.78
14	A"	813	766	8.08
15	A"	201	189	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.822	-0.773	0.000
N3	1.223	0.503	0.000
H4	-0.534	1.444	0.000
H5	-0.169	-1.647	0.000
H6	-1.463	-0.795	0.885
H7	-1.463	-0.795	-0.885

	C1	C2	N3	H4	H5	H6	H7
C1		1.5029	1.2229	1.0973	2.1387	2.1361	2.1361
C2	1.5029		2.4101	2.2355	1.0902	1.0935	1.0935
N3	1.2229	2.4101		1.9928	2.5614	3.1118	3.1118
H4	1.0973	2.2355	1.9928		3.1120	2.5803	2.5803
H5	2.1387	1.0902	2.5614	3.1120		1.7843	1.7843
H6	2.1361	1.0935	3.1118	2.5803	1.7843		1.7704
H7	2.1361	1.0935	3.1118	2.5803	1.7843	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.116	C1	C2	H6	109.713
C1	C2	H7	109.713	C2	C1	N3	123.987
C2	C1	H4	117.731	N3	C1	H4	118.281
H5	C2	H6	109.586	H5	C2	H7	109.586
H6	C2	H7	108.097

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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