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	hartrees
Energy at 0K	-132.892306
Energy at 298.15K	-132.896165
HF Energy	-132.474828
Nuclear repulsion energy	63.714126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3029	8.97
2	A'	3078	2932	8.35
3	A'	3040	2895	21.61
4	A'	1746	1663	0.20
5	A'	1529	1456	8.40
6	A'	1445	1376	3.86
7	A'	1290	1228	1.32
8	A'	1093	1041	9.94
9	A'	943	898	1.47
10	A'	439	418	17.87
11	A"	3151	3001	12.51
12	A"	1529	1456	8.94
13	A"	1101	1049	0.52
14	A"	756	720	9.93
15	A"	172	164	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.850	-0.766	0.000
N3	1.262	0.490	0.000
H4	-0.531	1.454	0.000
H5	-0.213	-1.655	0.000
H6	-1.494	-0.782	0.888
H7	-1.494	-0.782	-0.888

	C1	C2	N3	H4	H5	H6	H7
C1		1.5144	1.2616	1.1023	2.1529	2.1520	2.1520
C2	1.5144		2.4567	2.2424	1.0938	1.0965	1.0965
N3	1.2616	2.4567		2.0350	2.6026	3.1619	3.1619
H4	1.1023	2.2424	2.0350		3.1247	2.5912	2.5912
H5	2.1529	1.0938	2.6026	3.1247		1.7861	1.7861
H6	2.1520	1.0965	3.1619	2.5912	1.7861		1.7751
H7	2.1520	1.0965	3.1619	2.5912	1.7861	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.225	C1	C2	H6	109.987
C1	C2	H7	109.987	C2	C1	N3	124.249
C2	C1	H4	117.076	N3	C1	H4	118.675
H5	C2	H6	109.262	H5	C2	H7	109.262
H6	C2	H7	108.078

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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