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	hartrees
Energy at 0K	-132.984126
Energy at 298.15K	-132.988085
HF Energy	-132.517479
Nuclear repulsion energy	64.776495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3071	5.20
2	A'	3104	2957	5.98
3	A'	3061	2916	16.35
4	A'	2115	2015	88.25
5	A'	1508	1436	13.60
6	A'	1419	1352	4.57
7	A'	1294	1233	4.15
8	A'	1087	1035	11.17
9	A'	940	895	1.33
10	A'	453	431	22.17
11	A"	3195	3044	6.26
12	A"	1499	1428	11.01
13	A"	1148	1094	2.53
14	A"	800	762	6.60
15	A"	205	195	2.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.480	0.000
C2	-0.816	-0.785	0.000
N3	1.218	0.523	0.000
H4	-0.555	1.427	0.000
H5	-0.167	-1.655	0.000
H6	-1.453	-0.803	0.883
H7	-1.453	-0.803	-0.883

	C1	C2	N3	H4	H5	H6	H7
C1		1.5056	1.2189	1.0971	2.1421	2.1300	2.1300
C2	1.5056		2.4184	2.2268	1.0856	1.0885	1.0885
N3	1.2189	2.4184		1.9903	2.5814	3.1100	3.1100
H4	1.0971	2.2268	1.9903		3.1061	2.5604	2.5604
H5	2.1421	1.0856	2.5814	3.1061		1.7773	1.7773
H6	2.1300	1.0885	3.1100	2.5604	1.7773		1.7651
H7	2.1300	1.0885	3.1100	2.5604	1.7773	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.467	C1	C2	H6	109.333
C1	C2	H7	109.333	C2	C1	N3	124.828
C2	C1	H4	116.772	N3	C1	H4	118.400
H5	C2	H6	109.664	H5	C2	H7	109.664
H6	C2	H7	108.346

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

using model chemistry: MP2=FULL/TZVP

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=FULL/TZVP

States and conformations

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