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	hartrees
Energy at 0K	-132.931286
Energy at 298.15K	-132.935158
HF Energy	-132.485801
Nuclear repulsion energy	63.509636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3190	8.23
2	A'	3079	3079	9.66
3	A'	3042	3042	21.63
4	A'	1741	1741	0.44
5	A'	1479	1479	8.14
6	A'	1398	1398	1.97
7	A'	1252	1252	1.85
8	A'	1073	1073	9.59
9	A'	930	930	1.70
10	A'	430	430	17.38
11	A"	3161	3161	11.40
12	A"	1484	1484	7.71
13	A"	1070	1070	0.84
14	A"	745	745	8.81
15	A"	189	189	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.850	-0.769	0.000
N3	1.263	0.493	0.000
H4	-0.534	1.462	0.000
H5	-0.210	-1.664	0.000
H6	-1.498	-0.784	0.893
H7	-1.498	-0.784	-0.893

	C1	C2	N3	H4	H5	H6	H7
C1		1.5187	1.2633	1.1100	2.1634	2.1596	2.1596
C2	1.5187		2.4620	2.2540	1.1006	1.1033	1.1033
N3	1.2633	2.4620		2.0418	2.6121	3.1711	3.1711
H4	1.1100	2.2540	2.0418		3.1432	2.6029	2.6029
H5	2.1634	1.1006	2.6121	3.1432		1.7978	1.7978
H6	2.1596	1.1033	3.1711	2.6029	1.7978		1.7859
H7	2.1596	1.1033	3.1711	2.6029	1.7978	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.344	C1	C2	H6	109.885
C1	C2	H7	109.885	C2	C1	N3	124.235
C2	C1	H4	117.208	N3	C1	H4	118.557
H5	C2	H6	109.315	H5	C2	H7	109.315
H6	C2	H7	108.056

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

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