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	hartrees
Energy at 0K	-132.481971
Energy at 298.15K	-132.485921
HF Energy	-132.481971
Nuclear repulsion energy	64.091564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	2813	16.49
2	A'	3218	2750	16.32
3	A'	3190	2726	20.54
4	A'	1670	1427	7.64
5	A'	1595	1363	3.01
6	A'	1534	1311	2.70
7	A'	1348	1152	2.83
8	A'	1162	993	13.58
9	A'	971	830	2.44
10	A'	474	405	20.45
11	A"	3253	2780	22.53
12	A"	1606	1373	7.93
13	A"	1155	987	0.71
14	A"	793	678	8.70
15	A"	179	153	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.850	-0.756	0.000
N3	1.258	0.476	0.000
H4	-0.502	1.452	0.000
H5	-0.229	-1.642	0.000
H6	-1.489	-0.772	0.877
H7	-1.489	-0.772	-0.877

	C1	C2	N3	H4	H5	H6	H7
C1		1.5074	1.2584	1.0860	2.1443	2.1394	2.1394
C2	1.5074		2.4412	2.2353	1.0823	1.0854	1.0854
N3	1.2584	2.4412		2.0132	2.5884	3.1421	3.1421
H4	1.0860	2.2353	2.0132		3.1069	2.5865	2.5865
H5	2.1443	1.0823	2.5884	3.1069		1.7647	1.7647
H6	2.1394	1.0854	3.1421	2.5865	1.7647		1.7539
H7	2.1394	1.0854	3.1421	2.5865	1.7647	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.721	C1	C2	H6	110.138
C1	C2	H7	110.138	C2	C1	N3	123.682
C2	C1	H4	118.151	N3	C1	H4	118.167
H5	C2	H6	108.994	H5	C2	H7	108.994
H6	C2	H7	107.792

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	0.088
2	C	-0.384
3	N	-0.285
4	H	0.147
5	H	0.152
6	H	0.141
7	H	0.141

	x	y	z	Total
	-2.716	-0.285	0.000	2.731
CHELPG
AIM
ESP

<r²>	46.289
(<r²>)^1/2	6.804

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

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

States and conformations

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