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	hartrees
Energy at 0K	-133.193855
Energy at 298.15K	-133.188889
HF Energy	-132.475375
Nuclear repulsion energy	64.082911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3117	17.10
2	A'	3241	3054	17.14
3	A'	3211	3025	20.47
4	A'	1676	1579	7.88
5	A'	1609	1516	2.31
6	A'	1551	1461	2.53
7	A'	1356	1278	3.07
8	A'	1169	1102	13.14
9	A'	975	918	2.22
10	A'	474	447	20.31
11	A"	3270	3081	22.74
12	A"	1623	1529	7.65
13	A"	1163	1096	0.69
14	A"	794	748	8.61
15	A"	179	168	2.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.482	0.000
C2	-0.822	-0.781	0.000
N3	1.226	0.517	0.000
H4	-0.554	1.433	0.000
H5	-0.170	-1.654	0.000
H6	-1.463	-0.803	0.884
H7	-1.463	-0.803	-0.884

	C1	C2	N3	H4	H5	H6	H7
C1		1.5066	1.2263	1.1003	2.1425	2.1383	2.1383
C2	1.5066		2.4242	2.2295	1.0895	1.0926	1.0926
N3	1.2263	2.4242		2.0015	2.5808	3.1230	3.1230
H4	1.1003	2.2295	2.0015		3.1102	2.5698	2.5698
H5	2.1425	1.0895	2.5808	3.1102		1.7830	1.7830
H6	2.1383	1.0926	3.1230	2.5698	1.7830		1.7687
H7	2.1383	1.0926	3.1230	2.5698	1.7830	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.722	C1	C2	H6	110.195
C1	C2	H7	110.195	C2	C1	N3	123.717
C2	C1	H4	118.119	N3	C1	H4	118.164
H5	C2	H6	108.944	H5	C2	H7	108.944
H6	C2	H7	107.774

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

using model chemistry: G3

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: G3

States and conformations

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