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	hartrees
Energy at 0K	-132.549283
Energy at 298.15K	-132.553066
HF Energy	-132.549283
Nuclear repulsion energy	64.075441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3059	2.01
2	A'	2994	2938	2.93
3	A'	2867	2814	14.76
4	A'	1749	1717	0.50
5	A'	1411	1385	12.75
6	A'	1318	1293	8.69
7	A'	1181	1159	1.23
8	A'	1025	1006	7.83
9	A'	901	884	4.98
10	A'	400	392	16.05
11	A"	3076	3018	2.27
12	A"	1419	1392	13.22
13	A"	1009	990	0.01
14	A"	712	699	13.05
15	A"	191	188	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.475	0.000
C2	-0.833	-0.769	0.000
N3	1.247	0.508	0.000
H4	-0.562	1.441	0.000
H5	-0.191	-1.661	0.000
H6	-1.486	-0.786	0.889
H7	-1.486	-0.786	-0.889

	C1	C2	N3	H4	H5	H6	H7
C1		1.4972	1.2470	1.1175	2.1444	2.1422	2.1422
C2	1.4972		2.4404	2.2261	1.0992	1.1030	1.1030
N3	1.2470	2.4404		2.0352	2.6020	3.1513	3.1513
H4	1.1175	2.2261	2.0352		3.1237	2.5698	2.5698
H5	2.1444	1.0992	2.6020	3.1237		1.7975	1.7975
H6	2.1422	1.1030	3.1513	2.5698	1.7975		1.7787
H7	2.1422	1.1030	3.1513	2.5698	1.7975	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.428	C1	C2	H6	110.026
C1	C2	H7	110.026	C2	C1	N3	125.331
C2	C1	H4	115.972	N3	C1	H4	118.696
H5	C2	H6	109.420	H5	C2	H7	109.420
H6	C2	H7	107.468

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

using model chemistry: LSDA/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	0.070
2	C	-0.467
3	N	-0.282
4	H	0.152
5	H	0.178
6	H	0.174
7	H	0.174

	x	y	z	Total
	-2.837	-0.511	0.000	2.883
CHELPG
AIM
ESP

	x	y	z
x	5.123	0.347	0.000
y	0.347	3.969	0.000
z	0.000	0.000	2.782

<r²>	46.057
(<r²>)^1/2	6.787

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

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

States and conformations

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