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	hartrees
Energy at 0K	-133.069351
Energy at 298.15K	-133.073302
HF Energy	-132.522976
Nuclear repulsion energy	64.997212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3050	3.07
2	A'	3100	2950	4.32
3	A'	3062	2913	10.72
4	A'	2155	2051	125.56
5	A'	1506	1433	14.80
6	A'	1409	1341	5.23
7	A'	1275	1213	4.43
8	A'	1088	1035	11.52
9	A'	944	898	1.92
10	A'	441	420	22.58
11	A"	3177	3023	3.31
12	A"	1514	1440	9.74
13	A"	1143	1087	1.49
14	A"	799	760	7.82
15	A"	205	195	2.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.479	0.000
C2	-0.816	-0.778	0.000
N3	1.216	0.515	0.000
H4	-0.544	1.425	0.000
H5	-0.170	-1.648	0.000
H6	-1.453	-0.793	0.879
H7	-1.453	-0.793	-0.879

	C1	C2	N3	H4	H5	H6	H7
C1		1.4978	1.2167	1.0919	2.1333	2.1214	2.1214
C2	1.4978		2.4078	2.2198	1.0833	1.0862	1.0862
N3	1.2167	2.4078		1.9819	2.5687	3.0994	3.0994
H4	1.0919	2.2198	1.9819		3.0959	2.5532	2.5532
H5	2.1333	1.0833	2.5687	3.0959		1.7748	1.7748
H6	2.1214	1.0862	3.0994	2.5532	1.7748		1.7588
H7	2.1214	1.0862	3.0994	2.5532	1.7748	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.452	C1	C2	H6	109.331
C1	C2	H7	109.331	C2	C1	N3	124.679
C2	C1	H4	117.129	N3	C1	H4	118.192
H5	C2	H6	109.786	H5	C2	H7	109.786
H6	C2	H7	108.116

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

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