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	hartrees
Energy at 0K	-203.533934
Energy at 298.15K	-203.538582
HF Energy	-202.882777
Nuclear repulsion energy	107.816667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3059	10.80
2	A'	3050	2918	45.40
3	A'	2335	2234	490.08
4	A'	1497	1432	15.59
5	A'	1456	1393	12.33
6	A'	1348	1289	147.44
7	A'	1160	1110	13.67
8	A'	970	928	17.50
9	A'	686	656	5.28
10	A'	250	239	5.20
11	A"	3124	2989	34.88
12	A"	1497	1432	5.76
13	A"	1112	1064	1.04
14	A"	582	556	12.38
15	A"	114	109	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.065	-1.549	0.000
N2	0.718	-0.297	0.000
N3	0.000	0.719	0.000
N4	-0.556	1.713	0.000
H5	0.662	-2.374	0.000
H6	-0.702	-1.639	0.901
H7	-0.702	-1.639	-0.901

	C1	N2	N3	N4	H5	H6	H7
C1		1.4769	2.2688	3.2991	1.0994	1.1068	1.1068
N2	1.4769		1.2438	2.3800	2.0775	2.1511	2.1511
N3	2.2688	1.2438		1.1395	3.1625	2.6193	2.6193
N4	3.2991	2.3800	1.1395		4.2646	3.4737	3.4737
H5	1.0994	2.0775	3.1625	4.2646		1.7923	1.7923
H6	1.1068	2.1511	2.6193	3.4737	1.7923		1.8016
H7	1.1068	2.1511	2.6193	3.4737	1.7923	1.8016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.724	N2	C1	H5	106.567
N2	C1	H6	111.934	N2	C1	H7	111.934
N2	N3	N4	173.968	H5	C1	H6	108.664
H5	C1	H7	108.664	H6	C1	H7	108.958

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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