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	hartrees
Energy at 0K	-132.924165
Energy at 298.15K	-132.928038
HF Energy	-132.481772
Nuclear repulsion energy	63.833705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3037	10.29
2	A'	3116	2934	8.94
3	A'	3088	2907	22.00
4	A'	1747	1644	0.32
5	A'	1538	1447	6.48
6	A'	1449	1364	1.87
7	A'	1291	1215	1.48
8	A'	1095	1031	9.54
9	A'	943	888	1.27
10	A'	438	413	17.77
11	A"	3196	3008	14.31
12	A"	1539	1448	6.89
13	A"	1101	1037	0.86
14	A"	758	714	8.19
15	A"	176	166	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.851	-0.762	0.000
N3	1.262	0.484	0.000
H4	-0.523	1.452	0.000
H5	-0.219	-1.647	0.000
H6	-1.491	-0.776	0.883
H7	-1.491	-0.776	-0.883

	C1	C2	N3	H4	H5	H6	H7
C1		1.5131	1.2620	1.0959	2.1469	2.1458	2.1458
C2	1.5131		2.4532	2.2379	1.0877	1.0905	1.0905
N3	1.2620	2.4532		2.0307	2.5949	3.1541	3.1541
H4	1.0959	2.2379	2.0307		3.1136	2.5849	2.5849
H5	2.1469	1.0877	2.5949	3.1136		1.7765	1.7765
H6	2.1458	1.0905	3.1541	2.5849	1.7765		1.7658
H7	2.1458	1.0905	3.1541	2.5849	1.7765	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.205	C1	C2	H6	109.951
C1	C2	H7	109.951	C2	C1	N3	124.018
C2	C1	H4	117.236	N3	C1	H4	118.746
H5	C2	H6	109.288	H5	C2	H7	109.288
H6	C2	H7	108.123

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)