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	hartrees
Energy at 0K	-133.037079
Energy at 298.15K	-133.041038
HF Energy	-132.521903
Nuclear repulsion energy	64.613060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	2974	6.26
2	A'	3079	2875	5.96
3	A'	3056	2853	15.81
4	A'	2036	1901	55.74
5	A'	1502	1402	11.86
6	A'	1416	1322	4.05
7	A'	1289	1203	4.55
8	A'	1092	1019	11.95
9	A'	940	877	1.47
10	A'	449	419	21.79
11	A"	3153	2944	7.98
12	A"	1506	1406	8.65
13	A"	1139	1063	1.69
14	A"	799	746	7.14
15	A"	206	193	2.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.483	0.000
C2	-0.822	-0.780	0.000
N3	1.226	0.515	0.000
H4	-0.543	1.434	0.000
H5	-0.177	-1.653	0.000
H6	-1.462	-0.800	0.881
H7	-1.462	-0.800	-0.881

	C1	C2	N3	H4	H5	H6	H7
C1		1.5075	1.2260	1.0953	2.1439	2.1357	2.1357
C2	1.5075		2.4230	2.2322	1.0860	1.0892	1.0892
N3	1.2260	2.4230		1.9934	2.5819	3.1192	3.1192
H4	1.0953	2.2322	1.9934		3.1095	2.5717	2.5717
H5	2.1439	1.0860	2.5819	3.1095		1.7771	1.7771
H6	2.1357	1.0892	3.1192	2.5717	1.7771		1.7624
H7	2.1357	1.0892	3.1192	2.5717	1.7771	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.451	C1	C2	H6	109.612
C1	C2	H7	109.612	C2	C1	N3	124.533
C2	C1	H4	117.219	N3	C1	H4	118.248
H5	C2	H6	109.566	H5	C2	H7	109.566
H6	C2	H7	107.993

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

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