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	hartrees
Energy at 0K	-132.890957
Energy at 298.15K	-132.894820
HF Energy	-132.474869
Nuclear repulsion energy	63.749031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3007	8.61
2	A'	3082	2910	7.98
3	A'	3046	2876	21.05
4	A'	1751	1653	0.14
5	A'	1530	1444	8.44
6	A'	1446	1366	4.06
7	A'	1293	1221	1.32
8	A'	1095	1034	10.12
9	A'	945	893	1.51
10	A'	441	416	17.93
11	A"	3154	2979	12.08
12	A"	1530	1445	9.07
13	A"	1103	1042	0.52
14	A"	758	715	10.00
15	A"	173	163	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.849	-0.765	0.000
N3	1.261	0.489	0.000
H4	-0.529	1.455	0.000
H5	-0.213	-1.654	0.000
H6	-1.493	-0.781	0.887
H7	-1.493	-0.781	-0.887

	C1	C2	N3	H4	H5	H6	H7
C1		1.5138	1.2607	1.1019	2.1524	2.1513	2.1513
C2	1.5138		2.4545	2.2425	1.0935	1.0963	1.0963
N3	1.2607	2.4545		2.0336	2.6003	3.1598	3.1598
H4	1.1019	2.2425	2.0336		3.1244	2.5916	2.5916
H5	2.1524	1.0935	2.6003	3.1244		1.7855	1.7855
H6	2.1513	1.0963	3.1598	2.5916	1.7855		1.7745
H7	2.1513	1.0963	3.1598	2.5916	1.7855	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.243	C1	C2	H6	109.994
C1	C2	H7	109.994	C2	C1	N3	124.176
C2	C1	H4	117.168	N3	C1	H4	118.656
H5	C2	H6	109.254	H5	C2	H7	109.254
H6	C2	H7	108.063

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

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

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