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	hartrees
Energy at 0K	-132.581958
Energy at 298.15K	-132.585746
HF Energy	-132.581958
Nuclear repulsion energy	64.283302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3091	3059	2.22
2	A'	2976	2946	3.31
3	A'	2831	2801	14.60
4	A'	1741	1723	0.88
5	A'	1394	1380	16.63
6	A'	1303	1290	12.26
7	A'	1168	1156	2.08
8	A'	1014	1004	8.01
9	A'	896	887	5.04
10	A'	401	397	17.26
11	A"	3053	3022	2.04
12	A"	1402	1387	15.80
13	A"	1007	996	0.05
14	A"	712	704	14.43
15	A"	190	188	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.473	0.000
C2	-0.827	-0.773	0.000
N3	1.237	0.516	0.000
H4	-0.564	1.437	0.000
H5	-0.180	-1.660	0.000
H6	-1.478	-0.792	0.889
H7	-1.478	-0.792	-0.889

	C1	C2	N3	H4	H5	H6	H7
C1		1.4955	1.2382	1.1173	2.1406	2.1387	2.1387
C2	1.4955		2.4337	2.2258	1.0977	1.1015	1.1015
N3	1.2382	2.4337		2.0237	2.5969	3.1419	3.1419
H4	1.1173	2.2258	2.0237		3.1210	2.5681	2.5681
H5	2.1406	1.0977	2.5969	3.1210		1.7959	1.7959
H6	2.1387	1.1015	3.1419	2.5681	1.7959		1.7773
H7	2.1387	1.1015	3.1419	2.5681	1.7959	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.330	C1	C2	H6	109.953
C1	C2	H7	109.953	C2	C1	N3	125.554
C2	C1	H4	116.089	N3	C1	H4	118.357
H5	C2	H6	109.495	H5	C2	H7	109.495
H6	C2	H7	107.567

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

using model chemistry: SVWN/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	-0.059
2	C	-0.430
3	N	-0.192
4	H	0.156
5	H	0.176
6	H	0.175
7	H	0.175

	x	y	z	Total
	-2.888	-0.517	0.000	2.934
CHELPG
AIM
ESP

	x	y	z
x	5.418	0.374	0.000
y	0.374	4.327	0.000
z	0.000	0.000	3.098

<r²>	46.115
(<r²>)^1/2	6.791

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

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

States and conformations

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