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	hartrees
Energy at 0K	-132.967498
Energy at 298.15K	-132.971467
HF Energy	-132.488158
Nuclear repulsion energy	64.805382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3061	1.91
2	A'	3132	2944	2.87
3	A'	3090	2904	11.69
4	A'	2160	2030	91.96
5	A'	1518	1426	11.88
6	A'	1417	1331	5.06
7	A'	1278	1201	3.38
8	A'	1091	1025	11.85
9	A'	950	893	1.95
10	A'	438	412	21.71
11	A"	3225	3031	2.66
12	A"	1524	1433	9.22
13	A"	1153	1084	0.28
14	A"	807	759	6.89
15	A"	221	207	2.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.479	0.000
C2	-0.816	-0.783	0.000
N3	1.219	0.523	0.000
H4	-0.558	1.423	0.000
H5	-0.169	-1.654	0.000
H6	-1.456	-0.802	0.880
H7	-1.456	-0.802	-0.880

	C1	C2	N3	H4	H5	H6	H7
C1		1.5022	1.2197	1.0966	2.1392	2.1292	2.1292
C2	1.5022		2.4175	2.2208	1.0852	1.0885	1.0885
N3	1.2197	2.4175		1.9914	2.5814	3.1118	3.1118
H4	1.0966	2.2208	1.9914		3.1013	2.5555	2.5555
H5	2.1392	1.0852	2.5814	3.1013		1.7771	1.7771
H6	2.1292	1.0885	3.1118	2.5555	1.7771		1.7604
H7	2.1292	1.0885	3.1118	2.5555	1.7771	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.504	C1	C2	H6	109.505
C1	C2	H7	109.505	C2	C1	N3	124.968
C2	C1	H4	116.550	N3	C1	H4	118.482
H5	C2	H6	109.676	H5	C2	H7	109.676
H6	C2	H7	107.932

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

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