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	hartrees
Energy at 0K	-203.521152
Energy at 298.15K	-203.525785
HF Energy	-202.862404
Nuclear repulsion energy	107.766982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3037	10.98
2	A'	3065	2912	38.21
3	A'	2250	2137	475.27
4	A'	1544	1467	13.56
5	A'	1498	1423	13.25
6	A'	1341	1274	135.11
7	A'	1180	1121	12.14
8	A'	960	912	16.47
9	A'	674	640	7.02
10	A'	251	238	6.07
11	A"	3134	2976	29.11
12	A"	1545	1467	6.63
13	A"	1139	1082	0.50
14	A"	585	556	12.14
15	A"	114	108	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.068	-1.556	0.000
N2	0.708	-0.303	0.000
N3	0.000	0.719	0.000
N4	-0.544	1.726	0.000
H5	0.662	-2.367	0.000
H6	-0.698	-1.643	0.895
H7	-0.698	-1.643	-0.895

	C1	N2	N3	N4	H5	H6	H7
C1		1.4743	2.2766	3.3164	1.0911	1.0973	1.0973
N2	1.4743		1.2434	2.3841	2.0648	2.1383	2.1383
N3	2.2766	1.2434		1.1443	3.1566	2.6207	2.6207
N4	3.3164	2.3841	1.1443		4.2669	3.4890	3.4890
H5	1.0911	2.0648	3.1566	4.2669		1.7812	1.7812
H6	1.0973	2.1383	2.6207	3.4890	1.7812		1.7893
H7	1.0973	2.1383	2.6207	3.4890	1.7812	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.519	N2	C1	H5	106.227
N2	C1	H6	111.670	N2	C1	H7	111.670
N2	N3	N4	173.702	H5	C1	H6	108.963
H5	C1	H7	108.963	H6	C1	H7	109.246

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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