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	hartrees
Energy at 0K	-203.785834
Energy at 298.15K	-203.780448
HF Energy	-202.868453
Nuclear repulsion energy	109.813766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3325	19.22
2	A'	3181	3181	50.81
3	A'	2478	2478	759.06
4	A'	1630	1630	16.11
5	A'	1589	1589	12.07
6	A'	1388	1388	310.14
7	A'	1264	1264	11.95
8	A'	1014	1014	28.78
9	A'	733	733	8.60
10	A'	274	274	5.03
11	A"	3244	3244	50.40
12	A"	1633	1633	5.41
13	A"	1216	1216	1.78
14	A"	658	658	23.70
15	A"	115	115	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.044	-1.527	0.000
N2	0.709	-0.271	0.000
N3	0.000	0.719	0.000
N4	-0.581	1.656	0.000
H5	0.697	-2.314	0.000
H6	-0.667	-1.625	0.886
H7	-0.667	-1.625	-0.886

	C1	N2	N3	N4	H5	H6	H7
C1		1.4638	2.2469	3.2279	1.0806	1.0878	1.0878
N2	1.4638		1.2183	2.3189	2.0430	2.1233	2.1233
N3	2.2469	1.2183		1.1019	3.1128	2.5931	2.5931
N4	3.2279	2.3189	1.1019		4.1707	3.3992	3.3992
H5	1.0806	2.0430	3.1128	4.1707		1.7663	1.7663
H6	1.0878	2.1233	2.5931	3.3992	1.7663		1.7728
H7	1.0878	2.1233	2.5931	3.3992	1.7663	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.491	N2	C1	H5	105.842
N2	C1	H6	111.793	N2	C1	H7	111.793
N2	N3	N4	176.218	H5	C1	H6	109.084
H5	C1	H7	109.084	H6	C1	H7	109.141

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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