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	hartrees
Energy at 0K	-132.007440
Energy at 298.15K	-132.011372
HF Energy	-131.730329
Nuclear repulsion energy	63.757937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3005	8.02
2	A'	3054	2921	5.52
3	A'	3009	2879	22.62
4	A'	1807	1728	0.64
5	A'	1563	1495	9.67
6	A'	1464	1401	6.72
7	A'	1327	1269	2.06
8	A'	1088	1041	12.53
9	A'	899	860	1.82
10	A'	452	432	18.32
11	A"	3118	2982	10.23
12	A"	1568	1500	11.26
13	A"	1170	1119	1.57
14	A"	820	784	14.19
15	A"	191	183	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.832	-0.801	0.000
N3	1.240	0.540	0.000
H4	-0.586	1.420	0.000
H5	-0.166	-1.671	0.000
H6	-1.470	-0.828	0.893
H7	-1.470	-0.828	-0.893

	C1	C2	N3	H4	H5	H6	H7
C1		1.5341	1.2414	1.1009	2.1661	2.1661	2.1661
C2	1.5341		2.4680	2.2344	1.0957	1.0981	1.0981
N3	1.2414	2.4680		2.0276	2.6209	3.1649	3.1649
H4	1.1009	2.2344	2.0276		3.1199	2.5756	2.5756
H5	2.1661	1.0957	2.6209	3.1199		1.7912	1.7912
H6	2.1661	1.0981	3.1649	2.5756	1.7912		1.7858
H7	2.1661	1.0981	3.1649	2.5756	1.7912	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.786	C1	C2	H6	109.645
C1	C2	H7	109.645	C2	C1	N3	125.212
C2	C1	H4	114.994	N3	C1	H4	119.794
H5	C2	H6	109.470	H5	C2	H7	109.470
H6	C2	H7	108.807

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

using model chemistry: CCD/3-21G*

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

using model chemistry: CCD/3-21G*

States and conformations

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