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	hartrees
Energy at 0K	-132.900129
Energy at 298.15K	-132.904081
HF Energy	-132.492397
Nuclear repulsion energy	64.190546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3076	4.84
2	A'	3082	2956	5.56
3	A'	3056	2931	13.81
4	A'	2093	2007	103.77
5	A'	1467	1407	13.53
6	A'	1375	1318	3.79
7	A'	1260	1208	4.79
8	A'	1077	1033	11.26
9	A'	932	893	1.74
10	A'	439	421	23.06
11	A"	3175	3045	5.40
12	A"	1473	1412	9.19
13	A"	1128	1082	2.19
14	A"	787	754	7.24
15	A"	217	208	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.483	0.000
C2	-0.826	-0.787	0.000
N3	1.232	0.520	0.000
H4	-0.549	1.446	0.000
H5	-0.174	-1.669	0.000
H6	-1.472	-0.798	0.891
H7	-1.472	-0.798	-0.891

	C1	C2	N3	H4	H5	H6	H7
C1		1.5146	1.2325	1.1085	2.1587	2.1453	2.1453
C2	1.5146		2.4381	2.2496	1.0974	1.1005	1.1005
N3	1.2325	2.4381		2.0069	2.6018	3.1376	3.1376
H4	1.1085	2.2496	2.0069		3.1372	2.5850	2.5850
H5	2.1587	1.0974	2.6018	3.1372		1.7992	1.7992
H6	2.1453	1.1005	3.1376	2.5850	1.7992		1.7821
H7	2.1453	1.1005	3.1376	2.5850	1.7992	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.455	C1	C2	H6	109.213
C1	C2	H7	109.213	C2	C1	N3	124.810
C2	C1	H4	117.257	N3	C1	H4	117.932
H5	C2	H6	109.896	H5	C2	H7	109.896
H6	C2	H7	108.127

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

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