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	hartrees
Energy at 0K	-203.542179
Energy at 298.15K	-203.546837
HF Energy	-202.862645
Nuclear repulsion energy	107.206919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3060	7.86
2	A'	3122	2917	41.92
3	A'	2381	2224	281.25
4	A'	1558	1456	12.23
5	A'	1497	1398	17.50
6	A'	1340	1252	111.95
7	A'	1176	1099	11.13
8	A'	940	878	18.65
9	A'	689	644	8.79
10	A'	234	218	9.16
11	A"	3211	3001	24.63
12	A"	1553	1451	5.52
13	A"	1146	1071	0.42
14	A"	558	521	7.50
15	A"	146	136	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	-1.577	0.000
N2	0.684	-0.319	0.000
N3	0.000	0.719	0.000
N4	-0.508	1.765	0.000
H5	0.653	-2.374	0.000
H6	-0.704	-1.664	0.889
H7	-0.704	-1.664	-0.889

	C1	N2	N3	N4	H5	H6	H7
C1		1.4715	2.2974	3.3692	1.0831	1.0894	1.0894
N2	1.4715		1.2431	2.4006	2.0554	2.1273	2.1273
N3	2.2974	1.2431		1.1626	3.1616	2.6395	2.6395
N4	3.3692	2.4006	1.1626		4.2990	3.5483	3.5483
H5	1.0831	2.0554	3.1616	4.2990		1.7706	1.7706
H6	1.0894	2.1273	2.6395	3.5483	1.7706		1.7774
H7	1.0894	2.1273	2.6395	3.5483	1.7706	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.370	N2	C1	H5	106.143
N2	C1	H6	111.468	N2	C1	H7	111.468
N2	N3	N4	172.516	H5	C1	H6	109.174
H5	C1	H7	109.174	H6	C1	H7	109.327

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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