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	hartrees
Energy at 0K	-131.976975
Energy at 298.15K	-131.980936
HF Energy	-131.730012
Nuclear repulsion energy	64.000933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3042	5.96
2	A'	3102	2951	4.62
3	A'	3042	2894	21.98
4	A'	1877	1786	2.53
5	A'	1583	1506	10.79
6	A'	1477	1405	6.47
7	A'	1340	1275	2.35
8	A'	1096	1042	12.14
9	A'	909	865	1.98
10	A'	454	432	19.00
11	A"	3176	3021	7.61
12	A"	1588	1511	12.15
13	A"	1196	1137	1.84
14	A"	838	797	14.56
15	A"	200	190	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.825	-0.804	0.000
N3	1.232	0.548	0.000
H4	-0.593	1.409	0.000
H5	-0.158	-1.668	0.000
H6	-1.461	-0.831	0.890
H7	-1.461	-0.831	-0.890

	C1	C2	N3	H4	H5	H6	H7
C1		1.5303	1.2340	1.0983	2.1586	2.1588	2.1588
C2	1.5303		2.4618	2.2249	1.0920	1.0943	1.0943
N3	1.2340	2.4618		2.0189	2.6156	3.1543	3.1543
H4	1.0983	2.2249	2.0189		3.1077	2.5624	2.5624
H5	2.1586	1.0920	2.6156	3.1077		1.7862	1.7862
H6	2.1588	1.0943	3.1543	2.5624	1.7862		1.7803
H7	2.1588	1.0943	3.1543	2.5624	1.7862	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.679	C1	C2	H6	109.558
C1	C2	H7	109.558	C2	C1	N3	125.550
C2	C1	H4	114.655	N3	C1	H4	119.796
H5	C2	H6	109.577	H5	C2	H7	109.577
H6	C2	H7	108.875

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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