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	hartrees
Energy at 0K	-132.475375
Energy at 298.15K	-132.479322
HF Energy	-132.475375
Nuclear repulsion energy	64.082911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	2972	17.10
2	A'	3241	2912	17.14
3	A'	3211	2885	20.47
4	A'	1676	1506	7.88
5	A'	1609	1446	2.31
6	A'	1551	1393	2.53
7	A'	1356	1219	3.07
8	A'	1169	1051	13.14
9	A'	975	876	2.22
10	A'	474	426	20.31
11	A"	3270	2938	22.74
12	A"	1623	1458	7.65
13	A"	1163	1045	0.69
14	A"	794	713	8.61
15	A"	179	161	2.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.490	0.000
C2	-0.850	-0.756	0.000
N3	1.258	0.477	0.000
H4	-0.502	1.451	0.000
H5	-0.229	-1.643	0.000
H6	-1.489	-0.774	0.877
H7	-1.489	-0.774	-0.877

	C1	C2	N3	H4	H5	H6	H7
C1		1.5080	1.2584	1.0851	2.1448	2.1405	2.1405
C2	1.5080		2.4422	2.2347	1.0822	1.0853	1.0853
N3	1.2584	2.4422		2.0125	2.5897	3.1434	3.1434
H4	1.0851	2.2347	2.0125		3.1063	2.5870	2.5870
H5	2.1448	1.0822	2.5897	3.1063		1.7640	1.7640
H6	2.1405	1.0853	3.1434	2.5870	1.7640		1.7535
H7	2.1405	1.0853	3.1434	2.5870	1.7640	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.722	C1	C2	H6	110.195
C1	C2	H7	110.195	C2	C1	N3	123.717
C2	C1	H4	118.119	N3	C1	H4	118.164
H5	C2	H6	108.944	H5	C2	H7	108.944
H6	C2	H7	107.774

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

using model chemistry: HF/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	0.042
2	C	-0.536
3	N	-0.278
4	H	0.195
5	H	0.201
6	H	0.188
7	H	0.188

	x	y	z	Total
	-2.703	-0.277	0.000	2.717
CHELPG
AIM
ESP

	x	y	z
x	4.721	0.204	0.000
y	0.204	3.495	0.000
z	0.000	0.000	2.638

<r²>	46.324
(<r²>)^1/2	6.806

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

using model chemistry: HF/6-31G*

States and conformations

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