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	hartrees
Energy at 0K	-203.536615
Energy at 298.15K	-203.541187
HF Energy	-202.858946
Nuclear repulsion energy	107.093708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3179	3059
2	A'	3047	2932
3	A'	2179	2097
4	A'	1535	1477
5	A'	1483	1427
6	A'	1312	1262
7	A'	1164	1120
8	A'	935	899
9	A'	651	627
10	A'	242	232
11	A"	3118	3000
12	A"	1534	1476
13	A"	1126	1084
14	A"	552	532
15	A"	112	107

Atom	x (Å)	y (Å)	z (Å)
C1	-0.082	-1.570	0.000
N2	0.702	-0.314	0.000
N3	0.000	0.720	0.000
N4	-0.521	1.752	0.000
H5	0.648	-2.384	0.000
H6	-0.712	-1.651	0.897
H7	-0.712	-1.651	-0.897

	C1	N2	N3	N4	H5	H6	H7
C1		1.4805	2.2912	3.3508	1.0928	1.0987	1.0987
N2	1.4805		1.2493	2.4006	2.0705	2.1427	2.1427
N3	2.2912	1.2493		1.1562	3.1703	2.6330	2.6330
N4	3.3508	2.4006	1.1562		4.2976	3.5246	3.5246
H5	1.0928	2.0705	3.1703	4.2976		1.7855	1.7855
H6	1.0987	2.1427	2.6330	3.5246	1.7855		1.7930
H7	1.0987	2.1427	2.6330	3.5246	1.7855	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.869	N2	C1	H5	106.169
N2	C1	H6	111.493	N2	C1	H7	111.493
N2	N3	N4	172.609	H5	C1	H6	109.119
H5	C1	H7	109.119	H6	C1	H7	109.359

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

using model chemistry: CCSD(T)/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(T)/6-31G*

States and conformations

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