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	hartrees
Energy at 0K	-203.532486
Energy at 298.15K	-203.537139
HF Energy	-202.869487
Nuclear repulsion energy	108.358076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3273	10.95
2	A'	3131	3131	39.61
3	A'	2375	2375	540.13
4	A'	1565	1565	13.29
5	A'	1516	1516	13.24
6	A'	1366	1366	147.09
7	A'	1192	1192	10.44
8	A'	978	978	16.40
9	A'	691	691	4.95
10	A'	254	254	5.13
11	A"	3206	3206	31.15
12	A"	1563	1563	5.46
13	A"	1148	1148	0.99
14	A"	596	596	13.65
15	A"	105	105	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.064	-1.545	0.000
N2	0.717	-0.296	0.000
N3	0.000	0.717	0.000
N4	-0.559	1.704	0.000
H5	0.656	-2.353	0.000
H6	-0.689	-1.630	0.887
H7	-0.689	-1.630	-0.887

	C1	N2	N3	N4	H5	H6	H7
C1		1.4728	2.2628	3.2858	1.0825	1.0890	1.0890
N2	1.4728		1.2410	2.3718	2.0583	2.1317	2.1317
N3	2.2628	1.2410		1.1338	3.1397	2.6021	2.6021
N4	3.2858	2.3718	1.1338		4.2349	3.4519	3.4519
H5	1.0825	2.0583	3.1397	4.2349		1.7666	1.7666
H6	1.0890	2.1317	2.6021	3.4519	1.7666		1.7744
H7	1.0890	2.1317	2.6021	3.4519	1.7666	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.710	N2	C1	H5	106.314
N2	C1	H6	111.763	N2	C1	H7	111.763
N2	N3	N4	174.262	H5	C1	H6	108.887
H5	C1	H7	108.887	H6	C1	H7	109.122

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

using model chemistry: MP3=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 CH3N3 (methyl azide)

using model chemistry: MP3=FULL/6-31G**

States and conformations

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