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	hartrees
Energy at 0K	-203.492065
Energy at 298.15K	-203.496704
HF Energy	-202.864371
Nuclear repulsion energy	108.154164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3035	9.03
2	A'	3098	2907	35.31
3	A'	2366	2221	544.11
4	A'	1554	1459	15.06
5	A'	1508	1416	9.55
6	A'	1361	1278	143.65
7	A'	1186	1113	9.12
8	A'	973	913	16.84
9	A'	688	646	5.44
10	A'	253	237	5.35
11	A"	3168	2973	27.23
12	A"	1554	1459	7.18
13	A"	1143	1073	0.49
14	A"	591	555	13.72
15	A"	107	100	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.064	-1.548	0.000
N2	0.717	-0.295	0.000
N3	0.000	0.719	0.000
N4	-0.559	1.707	0.000
H5	0.664	-2.357	0.000
H6	-0.692	-1.633	0.893
H7	-0.692	-1.633	-0.893

	C1	N2	N3	N4	H5	H6	H7
C1		1.4761	2.2673	3.2916	1.0889	1.0952	1.0952
N2	1.4761		1.2420	2.3739	2.0627	2.1387	2.1387
N3	2.2673	1.2420		1.1350	3.1469	2.6095	2.6095
N4	3.2916	2.3739	1.1350		4.2438	3.4599	3.4599
H5	1.0889	2.0627	3.1469	4.2438		1.7778	1.7778
H6	1.0952	2.1387	2.6095	3.4599	1.7778		1.7866
H7	1.0952	2.1387	2.6095	3.4599	1.7778	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.775	N2	C1	H5	106.078
N2	C1	H6	111.705	N2	C1	H7	111.705
N2	N3	N4	174.236	H5	C1	H6	108.973
H5	C1	H7	108.973	H6	C1	H7	109.300

All results from a given calculation for CH₃N₃ (methyl azide)

using model chemistry: MP3/6-31G*

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 CH3N3 (methyl azide)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for CH₃N₃ (methyl azide)