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	hartrees
Energy at 0K	-133.048851
Energy at 298.15K	-133.052740
HF Energy	-132.522445
Nuclear repulsion energy	64.091073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3027	7.58
2	A'	3067	2930	8.11
3	A'	3028	2893	16.51
4	A'	1745	1668	1.24
5	A'	1498	1432	9.15
6	A'	1410	1347	2.73
7	A'	1265	1209	2.26
8	A'	1076	1028	9.90
9	A'	928	887	1.92
10	A'	435	416	18.71
11	A"	3138	2998	9.99
12	A"	1503	1436	7.76
13	A"	1085	1037	1.26
14	A"	757	724	9.19
15	A"	188	179	1.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.486	0.000
C2	-0.842	-0.769	0.000
N3	1.250	0.495	0.000
H4	-0.529	1.446	0.000
H5	-0.206	-1.651	0.000
H6	-1.482	-0.783	0.882
H7	-1.482	-0.783	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5107	1.2500	1.0960	2.1464	2.1411	2.1411
C2	1.5107		2.4440	2.2365	1.0871	1.0899	1.0899
N3	1.2500	2.4440		2.0167	2.5936	3.1426	3.1426
H4	1.0960	2.2365	2.0167		3.1133	2.5797	2.5797
H5	2.1464	1.0871	2.5936	3.1133		1.7769	1.7769
H6	2.1411	1.0899	3.1426	2.5797	1.7769		1.7642
H7	2.1411	1.0899	3.1426	2.5797	1.7769	1.7642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.370	C1	C2	H6	109.773
C1	C2	H7	109.773	C2	C1	N3	124.307
C2	C1	H4	117.291	N3	C1	H4	118.402
H5	C2	H6	109.415	H5	C2	H7	109.415
H6	C2	H7	108.055

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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