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	hartrees
Energy at 0K	-133.219147
Energy at 298.15K	-133.214255
HF Energy	-133.314127
Nuclear repulsion energy	63.972453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3039	7.59
2	A'	3041	2935	7.61
3	A'	2971	2867	18.83
4	A'	1739	1679	1.28
5	A'	1474	1422	8.05
6	A'	1384	1336	1.65
7	A'	1246	1203	1.62
8	A'	1048	1012	9.76
9	A'	909	877	2.95
10	A'	426	411	17.29
11	A"	3104	2996	9.61
12	A"	1479	1428	7.08
13	A"	1067	1030	0.14
14	A"	747	721	7.27
15	A"	194	188	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.483	0.000
C2	-0.835	-0.779	0.000
N3	1.247	0.515	0.000
H4	-0.555	1.436	0.000
H5	-0.197	-1.664	0.000
H6	-1.482	-0.798	0.884
H7	-1.482	-0.798	-0.884

	C1	C2	N3	H4	H5	H6	H7
C1		1.5140	1.2474	1.1030	2.1561	2.1492	2.1492
C2	1.5140		2.4518	2.2333	1.0909	1.0950	1.0950
N3	1.2474	2.4518		2.0241	2.6137	3.1546	3.1546
H4	1.1030	2.2333	2.0241		3.1207	2.5754	2.5754
H5	2.1561	1.0909	2.6137	3.1207		1.7836	1.7836
H6	2.1492	1.0950	3.1546	2.5754	1.7836		1.7673
H7	2.1492	1.0950	3.1546	2.5754	1.7836	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.497	C1	C2	H6	110.075
C1	C2	H7	110.075	C2	C1	N3	124.252
C2	C1	H4	117.222	N3	C1	H4	118.526
H5	C2	H6	109.257	H5	C2	H7	109.257
H6	C2	H7	107.624

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

using model chemistry: G4

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	0.070
2	C	-0.420
3	N	-0.213
4	H	0.125
5	H	0.149
6	H	0.145
7	H	0.145

	x	y	z	Total
	-2.712	-0.462	0.000	2.751
CHELPG
AIM
ESP

<r²>	46.279
(<r²>)^1/2	6.803

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

using model chemistry: G4

States and conformations

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