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	hartrees
Energy at 0K	-132.711787
Energy at 298.15K	-132.715646
HF Energy	-132.418615
Nuclear repulsion energy	62.956147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	3000	13.66
2	A'	3021	2911	7.57
3	A'	3005	2896	26.85
4	A'	1640	1580	0.81
5	A'	1535	1479	8.21
6	A'	1457	1404	4.65
7	A'	1301	1254	1.40
8	A'	1090	1051	11.24
9	A'	930	896	1.18
10	A'	446	430	17.79
11	A"	3093	2981	16.91
12	A"	1534	1478	10.05
13	A"	1111	1070	0.97
14	A"	765	737	13.56
15	A"	162	156	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.493	0.000
C2	-0.868	-0.767	0.000
N3	1.286	0.487	0.000
H4	-0.531	1.461	0.000
H5	-0.232	-1.665	0.000
H6	-1.513	-0.783	0.894
H7	-1.513	-0.783	-0.894

	C1	C2	N3	H4	H5	H6	H7
C1		1.5296	1.2856	1.1045	2.1699	2.1717	2.1717
C2	1.5296		2.4923	2.2535	1.1004	1.1022	1.1022
N3	1.2856	2.4923		2.0608	2.6336	3.2009	3.2009
H4	1.1045	2.2535	2.0608		3.1403	2.6081	2.6081
H5	2.1699	1.1004	2.6336	3.1403		1.7935	1.7935
H6	2.1717	1.1022	3.2009	2.6081	1.7935		1.7874
H7	2.1717	1.1022	3.2009	2.6081	1.7935	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.111	C1	C2	H6	110.145
C1	C2	H7	110.145	C2	C1	N3	124.349
C2	C1	H4	116.705	N3	C1	H4	118.945
H5	C2	H6	109.024	H5	C2	H7	109.024
H6	C2	H7	108.354

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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