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	hartrees
Energy at 0K	-132.857963
Energy at 298.15K	-132.861915
HF Energy	-132.473879
Nuclear repulsion energy	64.557715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3057	3.98
2	A'	3125	2944	4.39
3	A'	3084	2906	17.51
4	A'	2129	2005	66.49
5	A'	1542	1453	12.34
6	A'	1452	1368	6.07
7	A'	1312	1236	3.22
8	A'	1109	1045	11.59
9	A'	960	904	1.40
10	A'	450	424	21.77
11	A"	3213	3027	5.84
12	A"	1544	1455	11.14
13	A"	1174	1106	0.74
14	A"	813	766	8.17
15	A"	201	189	2.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.482	0.000
C2	-0.822	-0.781	0.000
N3	1.226	0.517	0.000
H4	-0.554	1.433	0.000
H5	-0.170	-1.654	0.000
H6	-1.463	-0.803	0.884
H7	-1.463	-0.803	-0.884

	C1	C2	N3	H4	H5	H6	H7
C1		1.5066	1.2263	1.1003	2.1425	2.1383	2.1383
C2	1.5066		2.4242	2.2295	1.0895	1.0926	1.0926
N3	1.2263	2.4242		2.0015	2.5808	3.1230	3.1230
H4	1.1003	2.2295	2.0015		3.1102	2.5698	2.5698
H5	2.1425	1.0895	2.5808	3.1102		1.7830	1.7830
H6	2.1383	1.0926	3.1230	2.5698	1.7830		1.7687
H7	2.1383	1.0926	3.1230	2.5698	1.7830	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.195	C1	C2	H6	109.679
C1	C2	H7	109.679	C2	C1	N3	124.695
C2	C1	H4	116.709	N3	C1	H4	118.596
H5	C2	H6	109.589	H5	C2	H7	109.589
H6	C2	H7	108.076

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

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

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