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	hartrees
Energy at 0K	-132.576189
Energy at 298.15K	-132.579976
HF Energy	-132.576189
Nuclear repulsion energy	64.268803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3090	3060	3.52
2	A'	2976	2948	4.39
3	A'	2830	2803	18.04
4	A'	1744	1728	0.77
5	A'	1415	1401	17.67
6	A'	1320	1307	13.71
7	A'	1183	1171	1.80
8	A'	1023	1013	7.97
9	A'	901	893	4.65
10	A'	404	400	16.97
11	A"	3051	3022	3.38
12	A"	1421	1407	16.77
13	A"	1014	1004	0.01
14	A"	710	703	14.99
15	A"	189	187	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.472	0.000
C2	-0.826	-0.774	0.000
N3	1.237	0.519	0.000
H4	-0.566	1.436	0.000
H5	-0.182	-1.663	0.000
H6	-1.478	-0.797	0.888
H7	-1.478	-0.797	-0.888

	C1	C2	N3	H4	H5	H6	H7
C1		1.4950	1.2381	1.1181	2.1431	2.1408	2.1408
C2	1.4950		2.4347	2.2254	1.0981	1.1019	1.1019
N3	1.2381	2.4347		2.0235	2.6027	3.1450	3.1450
H4	1.1181	2.2254	2.0235		3.1233	2.5705	2.5705
H5	2.1431	1.0981	2.6027	3.1233		1.7941	1.7941
H6	2.1408	1.1019	3.1450	2.5705	1.7941		1.7765
H7	2.1408	1.1019	3.1450	2.5705	1.7941	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.537	C1	C2	H6	110.133
C1	C2	H7	110.133	C2	C1	N3	125.696
C2	C1	H4	116.035	N3	C1	H4	118.269
H5	C2	H6	109.272	H5	C2	H7	109.272
H6	C2	H7	107.431

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	-0.088
2	C	-0.760
3	N	-0.190
4	H	0.233
5	H	0.271
6	H	0.266
7	H	0.266

	x	y	z	Total
	-2.881	-0.515	0.000	2.926
CHELPG
AIM
ESP

	x	y	z
x	5.379	0.374	0.000
y	0.374	4.276	0.000
z	0.000	0.000	3.046

<r²>	46.177
(<r²>)^1/2	6.795

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)