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	hartrees
Energy at 0K	-133.127274
Energy at 298.15K	-133.130964
HF Energy	-132.523518
Nuclear repulsion energy	64.659044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3153	3056
2	A'	3056	2962
3	A'	3014	2921
4	A'	2060	1997
5	A'	1490	1444
6	A'	1411	1368
7	A'	1258	1219
8	A'	1072	1039
9	A'	918	890
10	A'	436	422
11	A"	3123	3027
12	A"	1493	1447
13	A"	1107	1073
14	A"	793	769
15	A"	62	60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.482	0.000
C2	-0.821	-0.780	0.000
N3	1.224	0.515	0.000
H4	-0.548	1.430	0.000
H5	-0.175	-1.654	0.000
H6	-1.460	-0.797	0.882
H7	-1.460	-0.797	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5058	1.2249	1.0947	2.1430	2.1326	2.1326
C2	1.5058		2.4214	2.2268	1.0866	1.0895	1.0895
N3	1.2249	2.4214		1.9941	2.5816	3.1160	3.1160
H4	1.0947	2.2268	1.9941		3.1061	2.5636	2.5636
H5	2.1430	1.0866	2.5816	3.1061		1.7785	1.7785
H6	2.1326	1.0895	3.1160	2.5636	1.7785		1.7647
H7	2.1326	1.0895	3.1160	2.5636	1.7785	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.470	C1	C2	H6	109.462
C1	C2	H7	109.462	C2	C1	N3	124.612
C2	C1	H4	116.928	N3	C1	H4	118.460
H5	C2	H6	109.626	H5	C2	H7	109.626
H6	C2	H7	108.156

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

using model chemistry: MP4=FULL/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: MP4=FULL/aug-cc-pVTZ

States and conformations

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