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	hartrees
Energy at 0K	-132.925857
Energy at 298.15K	-132.929722
HF Energy	-132.485658
Nuclear repulsion energy	63.430868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3052	8.57
2	A'	3071	2946	10.05
3	A'	3032	2908	22.31
4	A'	1732	1662	0.48
5	A'	1477	1417	8.04
6	A'	1395	1338	1.77
7	A'	1248	1197	1.84
8	A'	1069	1026	9.38
9	A'	927	889	1.62
10	A'	428	410	17.28
11	A"	3154	3026	11.83
12	A"	1481	1421	7.54
13	A"	1067	1024	0.86
14	A"	742	712	8.75
15	A"	188	181	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.852	-0.770	0.000
N3	1.265	0.494	0.000
H4	-0.536	1.463	0.000
H5	-0.210	-1.666	0.000
H6	-1.500	-0.785	0.894
H7	-1.500	-0.785	-0.894

	C1	C2	N3	H4	H5	H6	H7
C1		1.5207	1.2650	1.1114	2.1654	2.1619	2.1619
C2	1.5207		2.4656	2.2557	1.1018	1.1044	1.1044
N3	1.2650	2.4656		2.0450	2.6153	3.1750	3.1750
H4	1.1114	2.2557	2.0450		3.1458	2.6045	2.6045
H5	2.1654	1.1018	2.6153	3.1458		1.7999	1.7999
H6	2.1619	1.1044	3.1750	2.6045	1.7999		1.7881
H7	2.1619	1.1044	3.1750	2.6045	1.7999	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.302	C1	C2	H6	109.866
C1	C2	H7	109.866	C2	C1	N3	124.270
C2	C1	H4	117.115	N3	C1	H4	118.615
H5	C2	H6	109.339	H5	C2	H7	109.339
H6	C2	H7	108.091

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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