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	hartrees
Energy at 0K	-132.903098
Energy at 298.15K	-132.906964
HF Energy	-132.474905
Nuclear repulsion energy	63.799558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3026	8.47
2	A'	3083	2928	7.94
3	A'	3046	2893	20.89
4	A'	1755	1667	0.14
5	A'	1530	1453	8.55
6	A'	1448	1375	4.22
7	A'	1293	1229	1.31
8	A'	1097	1042	10.15
9	A'	946	899	1.54
10	A'	441	419	17.95
11	A"	3155	2997	11.89
12	A"	1531	1454	9.18
13	A"	1104	1049	0.49
14	A"	759	721	9.99
15	A"	174	165	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.487	0.000
C2	-0.848	-0.764	0.000
N3	1.259	0.489	0.000
H4	-0.529	1.454	0.000
H5	-0.212	-1.653	0.000
H6	-1.492	-0.781	0.887
H7	-1.492	-0.781	-0.887

	C1	C2	N3	H4	H5	H6	H7
C1		1.5122	1.2594	1.1016	2.1510	2.1499	2.1499
C2	1.5122		2.4524	2.2407	1.0931	1.0960	1.0960
N3	1.2594	2.4524		2.0322	2.5989	3.1577	3.1577
H4	1.1016	2.2407	2.0322		3.1228	2.5898	2.5898
H5	2.1510	1.0931	2.5989	3.1228		1.7848	1.7848
H6	2.1499	1.0960	3.1577	2.5898	1.7848		1.7738
H7	2.1499	1.0960	3.1577	2.5898	1.7848	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.266	C1	C2	H6	110.009
C1	C2	H7	110.009	C2	C1	N3	124.209
C2	C1	H4	117.154	N3	C1	H4	118.637
H5	C2	H6	109.238	H5	C2	H7	109.238
H6	C2	H7	108.041

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

using model chemistry: CCSD=FULL/6-31G*

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: CCSD=FULL/6-31G*

States and conformations

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