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	hartrees
Energy at 0K	-202.140906
Energy at 298.15K	-202.145443
HF Energy	-201.686217
Nuclear repulsion energy	105.585379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3016	10.46
2	A'	3035	2903	28.99
3	A'	2110	2018	351.86
4	A'	1576	1508	13.20
5	A'	1491	1426	17.41
6	A'	1166	1115	107.71
7	A'	1136	1086	40.18
8	A'	813	778	9.88
9	A'	653	624	8.82
10	A'	244	234	6.23
11	A"	3093	2958	30.77
12	A"	1574	1505	6.88
13	A"	1114	1066	0.04
14	A"	494	473	8.83
15	A"	136	130	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.124	-1.599	0.000
N2	0.716	-0.328	0.000
N3	0.000	0.736	0.000
N4	-0.480	1.784	0.000
H5	0.601	-2.417	0.000
H6	-0.754	-1.670	0.898
H7	-0.754	-1.670	-0.898

	C1	N2	N3	N4	H5	H6	H7
C1		1.5243	2.3385	3.4022	1.0931	1.0986	1.0986
N2	1.5243		1.2824	2.4275	2.0928	2.1835	2.1835
N3	2.3385	1.2824		1.1532	3.2100	2.6761	2.6761
N4	3.4022	2.4275	1.1532		4.3385	3.5793	3.5793
H5	1.0931	2.0928	3.2100	4.3385		1.7885	1.7885
H6	1.0986	2.1835	2.6761	3.5793	1.7885		1.7954
H7	1.0986	2.1835	2.6761	3.5793	1.7885	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.573	N2	C1	H5	104.987
N2	C1	H6	111.686	N2	C1	H7	111.686
N2	N3	N4	170.661	H5	C1	H6	109.380
H5	C1	H7	109.380	H6	C1	H7	109.598

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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