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	hartrees
Energy at 0K	-133.109133
Energy at 298.15K	-133.113273
HF Energy	-132.521860
Nuclear repulsion energy	64.669063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3181	3063
2	A'	3093	2978
3	A'	3038	2925
4	A'	2063	1986
5	A'	1516	1460
6	A'	1375	1324
7	A'	1286	1238
8	A'	1075	1035
9	A'	945	910
10	A'	444	427
11	A"	3141	3025
12	A"	1518	1462
13	A"	1149	1107
14	A"	800	770
15	A"	353	340

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.480	0.000
C2	-0.820	-0.783	0.000
N3	1.224	0.522	0.000
H4	-0.554	1.423	0.000
H5	-0.176	-1.655	0.000
H6	-1.459	-0.800	0.880
H7	-1.459	-0.800	-0.880

	C1	C2	N3	H4	H5	H6	H7
C1		1.5057	1.2250	1.0935	2.1421	2.1309	2.1309
C2	1.5057		2.4255	2.2216	1.0841	1.0875	1.0875
N3	1.2250	2.4255		1.9931	2.5886	3.1180	3.1180
H4	1.0935	2.2216	1.9931		3.1008	2.5561	2.5561
H5	2.1421	1.0841	2.5886	3.1008		1.7752	1.7752
H6	2.1309	1.0875	3.1180	2.5561	1.7752		1.7600
H7	2.1309	1.0875	3.1180	2.5561	1.7752	1.7600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.549	C1	C2	H6	109.455
C1	C2	H7	109.455	C2	C1	N3	124.988
C2	C1	H4	116.564	N3	C1	H4	118.449
H5	C2	H6	109.657	H5	C2	H7	109.657
H6	C2	H7	108.026

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

using model chemistry: MP4=FULL/cc-pVTZ

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-pVTZ

States and conformations

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