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	hartrees
Energy at 0K	-133.045933
Energy at 298.15K	-133.049892
HF Energy	-132.523594
Nuclear repulsion energy	64.597159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3045	5.71
2	A'	3075	2942	5.90
3	A'	3051	2920	12.92
4	A'	2033	1946	68.20
5	A'	1506	1441	12.76
6	A'	1421	1360	3.84
7	A'	1286	1230	4.60
8	A'	1092	1045	12.11
9	A'	939	899	1.54
10	A'	448	428	21.93
11	A"	3149	3014	6.81
12	A"	1511	1446	8.68
13	A"	1139	1090	1.71
14	A"	797	763	7.34
15	A"	207	198	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.483	0.000
C2	-0.823	-0.780	0.000
N3	1.226	0.514	0.000
H4	-0.541	1.436	0.000
H5	-0.178	-1.655	0.000
H6	-1.463	-0.797	0.882
H7	-1.463	-0.797	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5075	1.2264	1.0959	2.1451	2.1348	2.1348
C2	1.5075		2.4233	2.2341	1.0866	1.0899	1.0899
N3	1.2264	2.4233		1.9931	2.5834	3.1190	3.1190
H4	1.0959	2.2341	1.9931		3.1120	2.5721	2.5721
H5	2.1451	1.0866	2.5834	3.1120		1.7789	1.7789
H6	2.1348	1.0899	3.1190	2.5721	1.7789		1.7636
H7	2.1348	1.0899	3.1190	2.5721	1.7789	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.516	C1	C2	H6	109.501
C1	C2	H7	109.501	C2	C1	N3	124.527
C2	C1	H4	117.337	N3	C1	H4	118.136
H5	C2	H6	109.634	H5	C2	H7	109.634
H6	C2	H7	108.012

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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