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	hartrees
Energy at 0K	-132.949420
Energy at 298.15K	-132.953283
HF Energy	-132.492891
Nuclear repulsion energy	63.409516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3057	9.50
2	A'	3049	2954	9.10
3	A'	3028	2933	17.35
4	A'	1711	1657	1.40
5	A'	1469	1423	8.35
6	A'	1385	1341	1.92
7	A'	1247	1208	2.34
8	A'	1067	1033	9.41
9	A'	921	892	1.77
10	A'	430	416	18.43
11	A"	3126	3028	11.55
12	A"	1471	1425	7.03
13	A"	1061	1027	1.77
14	A"	735	712	9.51
15	A"	187	181	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.490	0.000
C2	-0.854	-0.769	0.000
N3	1.267	0.490	0.000
H4	-0.523	1.468	0.000
H5	-0.216	-1.666	0.000
H6	-1.502	-0.779	0.893
H7	-1.502	-0.779	-0.893

	C1	C2	N3	H4	H5	H6	H7
C1		1.5218	1.2669	1.1088	2.1666	2.1597	2.1597
C2	1.5218		2.4666	2.2612	1.1007	1.1034	1.1034
N3	1.2669	2.4666		2.0400	2.6161	3.1739	3.1739
H4	1.1088	2.2612	2.0400		3.1485	2.6083	2.6083
H5	2.1666	1.1007	2.6161	3.1485		1.7995	1.7995
H6	2.1597	1.1034	3.1739	2.6083	1.7995		1.7867
H7	2.1597	1.1034	3.1739	2.6083	1.7995	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.390	C1	C2	H6	109.687
C1	C2	H7	109.687	C2	C1	N3	124.131
C2	C1	H4	117.683	N3	C1	H4	118.186
H5	C2	H6	109.459	H5	C2	H7	109.459
H6	C2	H7	108.123

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

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

States and conformations

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