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	hartrees
Energy at 0K	-132.911860
Energy at 298.15K	-132.915807
HF Energy	-132.481215
Nuclear repulsion energy	64.406526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3044	8.37
2	A'	3132	2937	6.43
3	A'	3114	2919	21.66
4	A'	2015	1889	32.93
5	A'	1542	1446	8.69
6	A'	1456	1365	2.87
7	A'	1316	1234	3.29
8	A'	1111	1041	11.66
9	A'	955	895	0.97
10	A'	452	424	21.00
11	A"	3214	3014	11.66
12	A"	1542	1446	7.90
13	A"	1158	1086	1.27
14	A"	805	755	6.14
15	A"	195	183	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.829	-0.777	0.000
N3	1.234	0.509	0.000
H4	-0.543	1.436	0.000
H5	-0.184	-1.651	0.000
H6	-1.469	-0.797	0.882
H7	-1.469	-0.797	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5100	1.2346	1.0954	2.1444	2.1396	2.1396
C2	1.5100		2.4312	2.2315	1.0865	1.0896	1.0896
N3	1.2346	2.4312		2.0051	2.5843	3.1286	3.1286
H4	1.0954	2.2315	2.0051		3.1084	2.5731	2.5731
H5	2.1444	1.0865	2.5843	3.1084		1.7768	1.7768
H6	2.1396	1.0896	3.1286	2.5731	1.7768		1.7642
H7	2.1396	1.0896	3.1286	2.5731	1.7768	1.7642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.289	C1	C2	H6	109.728
C1	C2	H7	109.728	C2	C1	N3	124.404
C2	C1	H4	116.955	N3	C1	H4	118.641
H5	C2	H6	109.476	H5	C2	H7	109.476
H6	C2	H7	108.108

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)