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	hartrees
Energy at 0K	-133.057688
Energy at 298.15K	-133.061575
HF Energy	-132.524095
Nuclear repulsion energy	64.079593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3045	6.91
2	A'	3063	2947	7.91
3	A'	3024	2910	13.69
4	A'	1741	1676	2.06
5	A'	1502	1446	9.77
6	A'	1414	1361	2.49
7	A'	1262	1215	2.30
8	A'	1076	1036	10.12
9	A'	927	892	2.00
10	A'	434	418	18.84
11	A"	3134	3016	8.71
12	A"	1507	1450	7.84
13	A"	1086	1045	1.35
14	A"	753	725	9.54
15	A"	187	180	2.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.486	0.000
C2	-0.842	-0.769	0.000
N3	1.250	0.495	0.000
H4	-0.527	1.447	0.000
H5	-0.207	-1.652	0.000
H6	-1.482	-0.781	0.883
H7	-1.482	-0.781	-0.883

	C1	C2	N3	H4	H5	H6	H7
C1		1.5107	1.2502	1.0966	2.1477	2.1402	2.1402
C2	1.5107		2.4441	2.2385	1.0877	1.0906	1.0906
N3	1.2502	2.4441		2.0161	2.5950	3.1421	3.1421
H4	1.0966	2.2385	2.0161		3.1159	2.5802	2.5802
H5	2.1477	1.0877	2.5950	3.1159		1.7787	1.7787
H6	2.1402	1.0906	3.1421	2.5802	1.7787		1.7655
H7	2.1402	1.0906	3.1421	2.5802	1.7787	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.434	C1	C2	H6	109.659
C1	C2	H7	109.659	C2	C1	N3	124.300
C2	C1	H4	117.421	N3	C1	H4	118.279
H5	C2	H6	109.485	H5	C2	H7	109.485
H6	C2	H7	108.079

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

using model chemistry: QCISD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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