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	hartrees
Energy at 0K	-133.058432
Energy at 298.15K	-133.053508
HF Energy	-132.474719
Nuclear repulsion energy	64.021266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3298	16.47
2	A'	3224	3224	16.50
3	A'	3195	3195	20.41
4	A'	1670	1670	7.09
5	A'	1601	1601	2.70
6	A'	1535	1535	2.60
7	A'	1348	1348	2.92
8	A'	1161	1161	12.91
9	A'	968	968	2.25
10	A'	471	471	20.20
11	A"	3260	3260	21.85
12	A"	1614	1614	7.42
13	A"	1153	1153	0.58
14	A"	787	787	8.32
15	A"	182	182	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.490	0.000
C2	-0.849	-0.760	0.000
N3	1.258	0.481	0.000
H4	-0.505	1.454	0.000
H5	-0.225	-1.648	0.000
H6	-1.490	-0.778	0.879
H7	-1.490	-0.778	-0.879

	C1	C2	N3	H4	H5	H6	H7
C1		1.5107	1.2576	1.0882	2.1496	2.1449	2.1449
C2	1.5107		2.4444	2.2399	1.0850	1.0881	1.0881
N3	1.2576	2.4444		2.0137	2.5941	3.1474	3.1474
H4	1.0882	2.2399	2.0137		3.1141	2.5928	2.5928
H5	2.1496	1.0850	2.5941	3.1141		1.7687	1.7687
H6	2.1449	1.0881	3.1474	2.5928	1.7687		1.7578
H7	2.1449	1.0881	3.1474	2.5928	1.7687	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.746	C1	C2	H6	110.184
C1	C2	H7	110.184	C2	C1	N3	123.757
C2	C1	H4	118.141	N3	C1	H4	118.102
H5	C2	H6	108.954	H5	C2	H7	108.954
H6	C2	H7	107.749

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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