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	hartrees
Energy at 0K	-132.020450
Energy at 298.15K	-132.024407
HF Energy	-131.730183
Nuclear repulsion energy	63.669367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3139	3072
2	A'	3046	2982
3	A'	2985	2922
4	A'	1836	1797
5	A'	1562	1529
6	A'	1452	1421
7	A'	1317	1289
8	A'	1077	1055
9	A'	885	866
10	A'	447	437
11	A"	3114	3048
12	A"	1567	1534
13	A"	1167	1142
14	A"	817	799
15	A"	212	208

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.490	0.000
C2	-0.832	-0.805	0.000
N3	1.241	0.544	0.000
H4	-0.593	1.419	0.000
H5	-0.161	-1.672	0.000
H6	-1.469	-0.833	0.894
H7	-1.469	-0.833	-0.894

	C1	C2	N3	H4	H5	H6	H7
C1		1.5392	1.2419	1.1026	2.1676	2.1697	2.1697
C2	1.5392		2.4730	2.2372	1.0960	1.0985	1.0985
N3	1.2419	2.4730		2.0320	2.6219	3.1685	3.1685
H4	1.1026	2.2372	2.0320		3.1211	2.5765	2.5765
H5	2.1676	1.0960	2.6219	3.1211		1.7933	1.7933
H6	2.1697	1.0985	3.1685	2.5765	1.7933		1.7883
H7	2.1697	1.0985	3.1685	2.5765	1.7933	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.535	C1	C2	H6	109.555
C1	C2	H7	109.555	C2	C1	N3	125.220
C2	C1	H4	114.735	N3	C1	H4	120.046
H5	C2	H6	109.605	H5	C2	H7	109.605
H6	C2	H7	108.971

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

using model chemistry: MP4=FULL/3-21G

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/3-21G

States and conformations

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