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	hartrees
Energy at 0K	-203.136262
Energy at 298.15K	-203.140778
HF Energy	-202.738332
Nuclear repulsion energy	106.483850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3035	9.70
2	A'	3100	2900	38.99
3	A'	2243	2098	519.57
4	A'	1584	1482	16.02
5	A'	1537	1438	9.80
6	A'	1284	1201	174.65
7	A'	1197	1119	14.37
8	A'	886	829	11.17
9	A'	628	587	14.40
10	A'	248	232	6.92
11	A"	3168	2962	34.91
12	A"	1581	1478	8.93
13	A"	1158	1083	0.65
14	A"	452	423	11.61
15	A"	121	114	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.130	-1.606	0.000
N2	0.661	-0.336	0.000
N3	0.000	0.737	0.000
N4	-0.421	1.803	0.000
H5	0.610	-2.403	0.000
H6	-0.756	-1.695	0.894
H7	-0.756	-1.695	-0.894

	C1	N2	N3	N4	H5	H6	H7
C1		1.4957	2.3468	3.4209	1.0875	1.0949	1.0949
N2	1.4957		1.2609	2.3970	2.0675	2.1574	2.1574
N3	2.3468	1.2609		1.1454	3.1992	2.6998	2.6998
N4	3.4209	2.3970	1.1454		4.3303	3.6260	3.6260
H5	1.0875	2.0675	3.1992	4.3303		1.7791	1.7791
H6	1.0949	2.1574	2.6998	3.6260	1.7791		1.7871
H7	1.0949	2.1574	2.6998	3.6260	1.7791	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	116.460	N2	C1	H5	105.229
N2	C1	H6	111.836	N2	C1	H7	111.836
N2	N3	N4	169.937	H5	C1	H6	109.212
H5	C1	H7	109.212	H6	C1	H7	109.393

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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