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	hartrees
Energy at 0K	-132.919555
Energy at 298.15K	-132.923495
HF Energy	-132.485055
Nuclear repulsion energy	64.360692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3051	7.99
2	A'	3124	2944	7.22
3	A'	3110	2930	18.81
4	A'	2005	1889	50.70
5	A'	1531	1443	11.67
6	A'	1450	1366	3.87
7	A'	1311	1235	3.66
8	A'	1108	1044	11.72
9	A'	952	897	0.94
10	A'	453	427	22.17
11	A"	3207	3022	9.61
12	A"	1528	1439	9.65
13	A"	1153	1086	3.16
14	A"	802	756	7.46
15	A"	191	180	2.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.484	0.000
C2	-0.831	-0.777	0.000
N3	1.236	0.509	0.000
H4	-0.538	1.438	0.000
H5	-0.189	-1.655	0.000
H6	-1.470	-0.793	0.883
H7	-1.470	-0.793	-0.883

	C1	C2	N3	H4	H5	H6	H7
C1		1.5102	1.2361	1.0957	2.1469	2.1379	2.1379
C2	1.5102		2.4343	2.2347	1.0871	1.0900	1.0900
N3	1.2361	2.4343		2.0029	2.5906	3.1298	3.1298
H4	1.0957	2.2347	2.0029		3.1126	2.5741	2.5741
H5	2.1469	1.0871	2.5906	3.1126		1.7784	1.7784
H6	2.1379	1.0900	3.1298	2.5741	1.7784		1.7659
H7	2.1379	1.0900	3.1298	2.5741	1.7784	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.431	C1	C2	H6	109.549
C1	C2	H7	109.549	C2	C1	N3	124.539
C2	C1	H4	117.194	N3	C1	H4	118.267
H5	C2	H6	109.538	H5	C2	H7	109.538
H6	C2	H7	108.200

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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