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	hartrees
Energy at 0K	-132.501670
Energy at 298.15K	-132.505620
HF Energy	-132.501670
Nuclear repulsion energy	64.169871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	2969	23.34
2	A'	3207	2900	16.33
3	A'	3189	2884	27.90
4	A'	1668	1508	8.77
5	A'	1599	1446	3.57
6	A'	1534	1388	3.44
7	A'	1349	1220	3.11
8	A'	1164	1052	12.77
9	A'	966	874	2.37
10	A'	473	428	20.82
11	A"	3246	2935	28.91
12	A"	1612	1458	9.21
13	A"	1157	1046	1.06
14	A"	789	714	9.68
15	A"	179	162	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.846	-0.760	0.000
N3	1.254	0.483	0.000
H4	-0.504	1.451	0.000
H5	-0.225	-1.645	0.000
H6	-1.485	-0.779	0.876
H7	-1.485	-0.779	-0.876

	C1	C2	N3	H4	H5	H6	H7
C1		1.5078	1.2536	1.0864	2.1450	2.1403	2.1403
C2	1.5078		2.4396	2.2366	1.0815	1.0847	1.0847
N3	1.2536	2.4396		2.0068	2.5905	3.1403	3.1403
H4	1.0864	2.2366	2.0068		3.1081	2.5890	2.5890
H5	2.1450	1.0815	2.5905	3.1081		1.7624	1.7624
H6	2.1403	1.0847	3.1403	2.5890	1.7624		1.7521
H7	2.1403	1.0847	3.1403	2.5890	1.7624	1.7521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.796	C1	C2	H6	110.223
C1	C2	H7	110.223	C2	C1	N3	123.864
C2	C1	H4	118.213	N3	C1	H4	117.923
H5	C2	H6	108.896	H5	C2	H7	108.896
H6	C2	H7	107.735

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	-0.046
2	C	-0.658
3	N	-0.217
4	H	0.221
5	H	0.242
6	H	0.229
7	H	0.229

	x	y	z	Total
	-2.720	-0.300	0.000	2.736
CHELPG
AIM
ESP

	x	y	z
x	4.891	0.235	0.000
y	0.235	3.677	0.000
z	0.000	0.000	2.869

<r²>	46.332
(<r²>)^1/2	6.807

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)