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	hartrees
Energy at 0K	-203.593965
Energy at 298.15K	-203.598607
HF Energy	-202.914360
Nuclear repulsion energy	108.390409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3045	11.41
2	A'	3048	2911	44.93
3	A'	2327	2222	539.88
4	A'	1520	1452	15.74
5	A'	1484	1417	12.18
6	A'	1346	1286	155.60
7	A'	1174	1121	12.36
8	A'	969	926	17.52
9	A'	687	656	5.54
10	A'	249	238	5.21
11	A"	3114	2974	36.10
12	A"	1516	1448	6.56
13	A"	1131	1080	1.36
14	A"	571	545	12.21
15	A"	111	106	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.064	-1.544	0.000
N2	0.716	-0.293	0.000
N3	0.000	0.717	0.000
N4	-0.557	1.702	0.000
H5	0.660	-2.359	0.000
H6	-0.694	-1.630	0.894
H7	-0.694	-1.630	-0.894

	C1	N2	N3	N4	H5	H6	H7
C1		1.4746	2.2622	3.2832	1.0899	1.0972	1.0972
N2	1.4746		1.2375	2.3656	2.0677	2.1388	2.1388
N3	2.2622	1.2375		1.1312	3.1465	2.6056	2.6056
N4	3.2832	2.3656	1.1312		4.2394	3.4522	3.4522
H5	1.0899	2.0677	3.1465	4.2394		1.7787	1.7787
H6	1.0972	2.1388	2.6056	3.4522	1.7787		1.7883
H7	1.0972	2.1388	2.6056	3.4522	1.7787	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.758	N2	C1	H5	106.501
N2	C1	H6	111.703	N2	C1	H7	111.703
N2	N3	N4	174.160	H5	C1	H6	108.832
H5	C1	H7	108.832	H6	C1	H7	109.167

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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