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	hartrees
Energy at 0K	-132.943847
Energy at 298.15K	-132.947803
HF Energy	-132.488314
Nuclear repulsion energy	64.665775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3066	2.01
2	A'	3121	2948	2.99
3	A'	3084	2913	11.80
4	A'	2154	2035	90.17
5	A'	1505	1422	11.60
6	A'	1409	1331	4.60
7	A'	1275	1204	3.58
8	A'	1083	1022	11.77
9	A'	941	889	1.93
10	A'	438	413	21.76
11	A"	3213	3035	2.92
12	A"	1511	1427	9.07
13	A"	1149	1085	0.40
14	A"	802	757	6.73
15	A"	217	205	2.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.482	0.000
C2	-0.818	-0.784	0.000
N3	1.221	0.522	0.000
H4	-0.557	1.428	0.000
H5	-0.168	-1.656	0.000
H6	-1.459	-0.804	0.882
H7	-1.459	-0.804	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5073	1.2219	1.0982	2.1446	2.1351	2.1351
C2	1.5073		2.4213	2.2283	1.0872	1.0906	1.0906
N3	1.2219	2.4213		1.9957	2.5832	3.1173	3.1173
H4	1.0982	2.2283	1.9957		3.1091	2.5640	2.5640
H5	2.1446	1.0872	2.5832	3.1091		1.7809	1.7809
H6	2.1351	1.0906	3.1173	2.5640	1.7809		1.7638
H7	2.1351	1.0906	3.1173	2.5640	1.7809	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.455	C1	C2	H6	109.497
C1	C2	H7	109.497	C2	C1	N3	124.721
C2	C1	H4	116.698	N3	C1	H4	118.581
H5	C2	H6	109.714	H5	C2	H7	109.714
H6	C2	H7	107.921

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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