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	hartrees
Energy at 0K	-132.921979
Energy at 298.15K	-132.925928
HF Energy	-132.506590
Nuclear repulsion energy	64.552005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3054	5.41
2	A'	3094	2940	5.91
3	A'	3051	2899	18.13
4	A'	2107	2002	73.90
5	A'	1501	1426	13.17
6	A'	1406	1336	5.08
7	A'	1277	1213	4.24
8	A'	1081	1028	11.41
9	A'	939	892	1.37
10	A'	442	420	22.01
11	A"	3184	3026	7.27
12	A"	1503	1428	10.79
13	A"	1143	1086	1.66
14	A"	798	758	7.28
15	A"	207	197	1.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.483	0.000
C2	-0.819	-0.787	0.000
N3	1.222	0.523	0.000
H4	-0.557	1.433	0.000
H5	-0.164	-1.658	0.000
H6	-1.459	-0.806	0.886
H7	-1.459	-0.806	-0.886

	C1	C2	N3	H4	H5	H6	H7
C1		1.5118	1.2226	1.1012	2.1479	2.1388	2.1388
C2	1.5118		2.4256	2.2358	1.0897	1.0927	1.0927
N3	1.2226	2.4256		1.9984	2.5847	3.1204	3.1204
H4	1.1012	2.2358	1.9984		3.1163	2.5710	2.5710
H5	2.1479	1.0897	2.5847	3.1163		1.7851	1.7851
H6	2.1388	1.0927	3.1204	2.5710	1.7851		1.7717
H7	2.1388	1.0927	3.1204	2.5710	1.7851	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.251	C1	C2	H6	109.351
C1	C2	H7	109.351	C2	C1	N3	124.677
C2	C1	H4	116.790	N3	C1	H4	118.532
H5	C2	H6	109.766	H5	C2	H7	109.766
H6	C2	H7	108.323

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

using model chemistry: MP2/6-311G**

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

using model chemistry: MP2/6-311G**

States and conformations

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