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	hartrees
Energy at 0K	-130.964606
Energy at 298.15K	-130.968349
HF Energy	-130.842067
Nuclear repulsion energy	62.507529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3565	3169	0.09
2	A'	3429	3048	11.82
3	A'	3374	2999	0.35
4	A'	1717	1526	4.25
5	A'	1598	1420	0.62
6	A'	1513	1345	9.44
7	A'	1290	1146	6.29
8	A'	1176	1045	10.34
9	A'	992	882	5.22
10	A'	443	394	9.85
11	A"	3544	3150	0.24
12	A"	1709	1519	3.36
13	A"	1184	1052	0.03
14	A"	789	702	6.87
15	A"	169	150	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.502	0.000
C2	-0.876	-0.769	0.000
N3	1.298	0.481	0.000
H4	-0.534	1.474	0.000
H5	-0.245	-1.673	0.000
H6	-1.524	-0.784	0.895
H7	-1.524	-0.784	-0.895

	C1	C2	N3	H4	H5	H6	H7
C1		1.5437	1.2979	1.1088	2.1887	2.1856	2.1856
C2	1.5437		2.5078	2.2687	1.1029	1.1047	1.1047
N3	1.2979	2.5078		2.0832	2.6495	3.2193	3.2193
H4	1.1088	2.2687	2.0832		3.1601	2.6226	2.6226
H5	2.1887	1.1029	2.6495	3.1601		1.7967	1.7967
H6	2.1856	1.1047	3.2193	2.6226	1.7967		1.7891
H7	2.1856	1.1047	3.2193	2.6226	1.7967	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.473	C1	C2	H6	110.126
C1	C2	H7	110.126	C2	C1	N3	123.675
C2	C1	H4	116.632	N3	C1	H4	119.692
H5	C2	H6	108.957	H5	C2	H7	108.957
H6	C2	H7	108.151

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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