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	hartrees
Energy at 0K	-132.507941
Energy at 298.15K	-132.511901
HF Energy	-132.507941
Nuclear repulsion energy	64.163041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	2968	18.59
2	A'	3187	2895	12.65
3	A'	3170	2880	24.36
4	A'	1659	1507	8.26
5	A'	1584	1439	4.28
6	A'	1520	1381	3.17
7	A'	1339	1217	2.97
8	A'	1156	1050	13.45
9	A'	963	875	2.76
10	A'	472	429	20.96
11	A"	3230	2935	24.20
12	A"	1596	1450	9.17
13	A"	1150	1045	1.09
14	A"	791	719	9.68
15	A"	183	166	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.846	-0.759	0.000
N3	1.254	0.481	0.000
H4	-0.504	1.452	0.000
H5	-0.223	-1.644	0.000
H6	-1.485	-0.775	0.878
H7	-1.485	-0.775	-0.878

	C1	C2	N3	H4	H5	H6	H7
C1		1.5080	1.2537	1.0870	2.1440	2.1386	2.1386
C2	1.5080		2.4390	2.2375	1.0824	1.0856	1.0856
N3	1.2537	2.4390		2.0082	2.5871	3.1384	3.1384
H4	1.0870	2.2375	2.0082		3.1083	2.5870	2.5870
H5	2.1440	1.0824	2.5871	3.1083		1.7660	1.7660
H6	2.1386	1.0856	3.1384	2.5870	1.7660		1.7553
H7	2.1386	1.0856	3.1384	2.5870	1.7660	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.653	C1	C2	H6	110.025
C1	C2	H7	110.025	C2	C1	N3	123.785
C2	C1	H4	118.225	N3	C1	H4	117.990
H5	C2	H6	109.095	H5	C2	H7	109.095
H6	C2	H7	107.891

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

using model chemistry: HF/6-311G**

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	-0.002
2	C	-0.243
3	N	-0.215
4	H	0.117
5	H	0.120
6	H	0.111
7	H	0.111

	x	y	z	Total
	-2.733	-0.309	0.000	2.751
CHELPG
AIM
ESP

	x	y	z
x	4.940	0.245	0.000
y	0.245	3.741	0.000
z	0.000	0.000	2.928

<r²>	46.283
(<r²>)^1/2	6.803

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

using model chemistry: HF/6-311G**

States and conformations

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