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	hartrees
Energy at 0K	-132.936385
Energy at 298.15K	-132.940366
HF Energy	-132.485346
Nuclear repulsion energy	63.929165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3197	3086
2	A'	3077	2970
3	A'	3030	2924
4	A'	2013	1943
5	A'	1476	1425
6	A'	1380	1332
7	A'	1257	1213
8	A'	1071	1034
9	A'	933	900
10	A'	434	419
11	A"	3165	3054
12	A"	1483	1431
13	A"	1118	1079
14	A"	780	753
15	A"	247	239

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.486	0.000
C2	-0.831	-0.787	0.000
N3	1.239	0.519	0.000
H4	-0.558	1.449	0.000
H5	-0.173	-1.669	0.000
H6	-1.478	-0.806	0.894
H7	-1.478	-0.806	-0.894

	C1	C2	N3	H4	H5	H6	H7
C1		1.5196	1.2392	1.1131	2.1620	2.1573	2.1573
C2	1.5196		2.4470	2.2521	1.1007	1.1039	1.1039
N3	1.2392	2.4470		2.0231	2.6042	3.1524	3.1524
H4	1.1131	2.2521	2.0231		3.1418	2.5947	2.5947
H5	2.1620	1.1007	2.6042	3.1418		1.8019	1.8019
H6	2.1573	1.1039	3.1524	2.5947	1.8019		1.7880
H7	2.1573	1.1039	3.1524	2.5947	1.8019	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.166	C1	C2	H6	109.612
C1	C2	H7	109.612	C2	C1	N3	124.683
C2	C1	H4	116.769	N3	C1	H4	118.548
H5	C2	H6	109.632	H5	C2	H7	109.632
H6	C2	H7	108.155

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

using model chemistry: MP4=FULL/cc-pVDZ

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: MP4=FULL/cc-pVDZ

States and conformations

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