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	hartrees
Energy at 0K	-133.134382
Energy at 298.15K	-133.138347
HF Energy	-132.530328
Nuclear repulsion energy	65.039174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3091	2.68
2	A'	3108	2974	4.00
3	A'	3062	2931	11.03
4	A'	2159	2066	118.53
5	A'	1499	1435	14.68
6	A'	1402	1341	5.63
7	A'	1271	1217	4.39
8	A'	1085	1038	11.62
9	A'	942	902	1.92
10	A'	444	425	22.67
11	A"	3197	3060	3.20
12	A"	1506	1441	10.13
13	A"	1143	1094	1.29
14	A"	800	766	7.61
15	A"	216	207	2.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.478	0.000
C2	-0.814	-0.779	0.000
N3	1.215	0.517	0.000
H4	-0.545	1.426	0.000
H5	-0.170	-1.647	0.000
H6	-1.451	-0.795	0.877
H7	-1.451	-0.795	-0.877

	C1	C2	N3	H4	H5	H6	H7
C1		1.4978	1.2153	1.0932	2.1318	2.1203	2.1203
C2	1.4978		2.4075	2.2211	1.0810	1.0842	1.0842
N3	1.2153	2.4075		1.9806	2.5688	3.0978	3.0978
H4	1.0932	2.2211	1.9806		3.0955	2.5536	2.5536
H5	2.1318	1.0810	2.5688	3.0955		1.7714	1.7714
H6	2.1203	1.0842	3.0978	2.5536	1.7714		1.7547
H7	2.1203	1.0842	3.0978	2.5536	1.7714	1.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.467	C1	C2	H6	109.359
C1	C2	H7	109.359	C2	C1	N3	124.762
C2	C1	H4	117.154	N3	C1	H4	118.084
H5	C2	H6	109.790	H5	C2	H7	109.790
H6	C2	H7	108.033

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

using model chemistry: MP2=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

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