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	hartrees
Energy at 0K	-132.913628
Energy at 298.15K	-132.917570
HF Energy	-132.485369
Nuclear repulsion energy	63.998249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3060	6.93
2	A'	3084	2950	7.15
3	A'	3060	2927	21.74
4	A'	1996	1910	32.12
5	A'	1480	1416	10.33
6	A'	1402	1341	2.71
7	A'	1272	1217	3.87
8	A'	1086	1039	11.46
9	A'	939	898	1.38
10	A'	442	423	20.47
11	A"	3169	3032	9.63
12	A"	1484	1420	8.56
13	A"	1124	1076	1.38
14	A"	788	754	6.81
15	A"	208	199	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.486	0.000
C2	-0.830	-0.784	0.000
N3	1.237	0.517	0.000
H4	-0.554	1.450	0.000
H5	-0.175	-1.670	0.000
H6	-1.478	-0.805	0.893
H7	-1.478	-0.805	-0.893

	C1	C2	N3	H4	H5	H6	H7
C1		1.5176	1.2377	1.1109	2.1631	2.1562	2.1562
C2	1.5176		2.4425	2.2510	1.1009	1.1038	1.1038
N3	1.2377	2.4425		2.0191	2.6031	3.1491	3.1491
H4	1.1109	2.2510	2.0191		3.1421	2.5953	2.5953
H5	2.1631	1.1009	2.6031	3.1421		1.8006	1.8006
H6	2.1562	1.1038	3.1491	2.5953	1.8006		1.7866
H7	2.1562	1.1038	3.1491	2.5953	1.8006	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.382	C1	C2	H6	109.671
C1	C2	H7	109.671	C2	C1	N3	124.555
C2	C1	H4	116.979	N3	C1	H4	118.466
H5	C2	H6	109.512	H5	C2	H7	109.512
H6	C2	H7	108.054

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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