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	hartrees
Energy at 0K	-132.892933
Energy at 298.15K	-132.896875
HF Energy	-132.500298
Nuclear repulsion energy	64.556305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3057	5.40
2	A'	3098	2944	5.84
3	A'	3050	2899	19.33
4	A'	2110	2005	72.51
5	A'	1519	1443	16.30
6	A'	1427	1356	9.13
7	A'	1292	1228	4.07
8	A'	1092	1038	11.49
9	A'	944	897	1.49
10	A'	447	425	21.95
11	A"	3187	3028	7.22
12	A"	1520	1445	13.60
13	A"	1154	1096	1.17
14	A"	801	761	9.47
15	A"	200	190	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.486	0.000
C2	-0.818	-0.778	0.000
N3	1.218	0.509	0.000
H4	-0.533	1.445	0.000
H5	-0.166	-1.650	0.000
H6	-1.459	-0.801	0.884
H7	-1.459	-0.801	-0.884

	C1	C2	N3	H4	H5	H6	H7
C1		1.5052	1.2182	1.0975	2.1423	2.1373	2.1373
C2	1.5052		2.4085	2.2414	1.0890	1.0923	1.0923
N3	1.2182	2.4085		1.9854	2.5645	3.1091	3.1091
H4	1.0975	2.2414	1.9854		3.1171	2.5862	2.5862
H5	2.1423	1.0890	2.5645	3.1171		1.7817	1.7817
H6	2.1373	1.0923	3.1091	2.5862	1.7817		1.7678
H7	2.1373	1.0923	3.1091	2.5862	1.7817	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.305	C1	C2	H6	109.709
C1	C2	H7	109.709	C2	C1	N3	124.005
C2	C1	H4	118.051	N3	C1	H4	117.944
H5	C2	H6	109.527	H5	C2	H7	109.527
H6	C2	H7	108.027

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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