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	hartrees
Energy at 0K	-133.010166
Energy at 298.15K	-133.014119
HF Energy	-132.526107
Nuclear repulsion energy	64.797043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3061	3.32
2	A'	3098	2948	4.46
3	A'	3055	2907	12.63
4	A'	2141	2038	113.04
5	A'	1494	1422	13.88
6	A'	1399	1331	4.66
7	A'	1271	1210	4.39
8	A'	1079	1027	11.78
9	A'	936	890	1.73
10	A'	442	421	22.75
11	A"	3185	3031	3.85
12	A"	1501	1428	9.86
13	A"	1141	1085	1.68
14	A"	798	759	7.29
15	A"	214	204	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.484	0.000
C2	-0.814	-0.774	0.000
N3	1.212	0.504	0.000
H4	-0.527	1.440	0.000
H5	-0.166	-1.644	0.000
H6	-1.453	-0.791	0.881
H7	-1.453	-0.791	-0.881

	C1	C2	N3	H4	H5	H6	H7
C1		1.4979	1.2119	1.0921	2.1339	2.1239	2.1239
C2	1.4979		2.3949	2.2325	1.0849	1.0880	1.0880
N3	1.2119	2.3949		1.9748	2.5515	3.0905	3.0905
H4	1.0921	2.2325	1.9748		3.1051	2.5713	2.5713
H5	2.1339	1.0849	2.5515	3.1051		1.7772	1.7772
H6	2.1239	1.0880	3.0905	2.5713	1.7772		1.7615
H7	2.1239	1.0880	3.0905	2.5713	1.7772	1.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.401	C1	C2	H6	109.413
C1	C2	H7	109.413	C2	C1	N3	123.867
C2	C1	H4	118.230	N3	C1	H4	117.903
H5	C2	H6	109.742	H5	C2	H7	109.742
H6	C2	H7	108.090

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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