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	hartrees
Energy at 0K	-132.978160
Energy at 298.15K	-132.982111
HF Energy	-132.488726
Nuclear repulsion energy	64.486851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3051	4.03
2	A'	3109	2945	4.11
3	A'	3086	2923	14.01
4	A'	2049	1941	48.26
5	A'	1512	1432	10.12
6	A'	1427	1351	3.85
7	A'	1292	1223	3.64
8	A'	1093	1035	12.02
9	A'	942	892	1.55
10	A'	444	421	21.16
11	A"	3188	3020	5.82
12	A"	1515	1435	8.16
13	A"	1144	1084	0.55
14	A"	801	758	6.33
15	A"	208	197	2.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.823	-0.782	0.000
N3	1.228	0.516	0.000
H4	-0.550	1.435	0.000
H5	-0.175	-1.657	0.000
H6	-1.465	-0.804	0.883
H7	-1.465	-0.804	-0.883

	C1	C2	N3	H4	H5	H6	H7
C1		1.5107	1.2280	1.0975	2.1487	2.1414	2.1414
C2	1.5107		2.4271	2.2335	1.0884	1.0917	1.0917
N3	1.2280	2.4271		2.0006	2.5864	3.1260	3.1260
H4	1.0975	2.2335	2.0006		3.1140	2.5742	2.5742
H5	2.1487	1.0884	2.5864	3.1140		1.7807	1.7807
H6	2.1414	1.0917	3.1260	2.5742	1.7807		1.7652
H7	2.1414	1.0917	3.1260	2.5742	1.7807	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.463	C1	C2	H6	109.689
C1	C2	H7	109.689	C2	C1	N3	124.475
C2	C1	H4	116.930	N3	C1	H4	118.595
H5	C2	H6	109.533	H5	C2	H7	109.533
H6	C2	H7	107.890

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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