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	hartrees
Energy at 0K	-132.989792
Energy at 298.15K	-132.993671
HF Energy	-132.489322
Nuclear repulsion energy	63.939992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3033	5.40
2	A'	3094	2931	5.99
3	A'	3058	2897	14.78
4	A'	1752	1660	0.81
5	A'	1508	1428	7.83
6	A'	1420	1345	2.57
7	A'	1269	1202	1.73
8	A'	1076	1020	9.99
9	A'	930	881	1.97
10	A'	430	408	18.05
11	A"	3170	3003	7.92
12	A"	1511	1432	7.29
13	A"	1087	1030	0.37
14	A"	757	717	7.99
15	A"	188	179	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.843	-0.770	0.000
N3	1.253	0.496	0.000
H4	-0.534	1.447	0.000
H5	-0.207	-1.654	0.000
H6	-1.486	-0.786	0.884
H7	-1.486	-0.786	-0.884

	C1	C2	N3	H4	H5	H6	H7
C1		1.5140	1.2533	1.0981	2.1516	2.1470	2.1470
C2	1.5140		2.4491	2.2383	1.0896	1.0925	1.0925
N3	1.2533	2.4491		2.0247	2.5989	3.1505	3.1505
H4	1.0981	2.2383	2.0247		3.1183	2.5829	2.5829
H5	2.1516	1.0896	2.5989	3.1183		1.7805	1.7805
H6	2.1470	1.0925	3.1505	2.5829	1.7805		1.7672
H7	2.1470	1.0925	3.1505	2.5829	1.7805	1.7672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.396	C1	C2	H6	109.856
C1	C2	H7	109.856	C2	C1	N3	124.236
C2	C1	H4	117.042	N3	C1	H4	118.722
H5	C2	H6	109.370	H5	C2	H7	109.370
H6	C2	H7	107.952

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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