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	hartrees
Energy at 0K	-132.666537
Energy at 298.15K	-132.670478
HF Energy	-132.433610
Nuclear repulsion energy	63.339810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3063	13.95
2	A'	3063	2957	17.62
3	A'	3042	2936	19.18
4	A'	1748	1687	1.80
5	A'	1527	1474	15.84
6	A'	1450	1400	8.06
7	A'	1310	1265	2.82
8	A'	1094	1056	13.65
9	A'	930	897	2.05
10	A'	447	431	22.97
11	A"	3146	3037	18.72
12	A"	1525	1472	15.87
13	A"	1174	1134	3.60
14	A"	820	791	14.93
15	A"	201	194	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.842	-0.797	0.000
N3	1.255	0.532	0.000
H4	-0.565	1.440	0.000
H5	-0.194	-1.687	0.000
H6	-1.487	-0.814	0.895
H7	-1.487	-0.814	-0.895

	C1	C2	N3	H4	H5	H6	H7
C1		1.5378	1.2560	1.1059	2.1842	2.1704	2.1704
C2	1.5378		2.4837	2.2547	1.1003	1.1030	1.1030
N3	1.2560	2.4837		2.0336	2.6502	3.1832	3.1832
H4	1.1059	2.2547	2.0336		3.1484	2.5949	2.5949
H5	2.1842	1.1003	2.6502	3.1484		1.7980	1.7980
H6	2.1704	1.1030	3.1832	2.5949	1.7980		1.7905
H7	2.1704	1.1030	3.1832	2.5949	1.7980	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.681	C1	C2	H6	109.434
C1	C2	H7	109.434	C2	C1	N3	125.189
C2	C1	H4	116.085	N3	C1	H4	118.726
H5	C2	H6	109.375	H5	C2	H7	109.375
H6	C2	H7	108.505

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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