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	hartrees
Energy at 0K	-203.571386
Energy at 298.15K	-203.575945
HF Energy	-202.878504
Nuclear repulsion energy	107.034288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3173	3106
2	A'	3029	2965
3	A'	2179	2133
4	A'	1483	1452
5	A'	1437	1407
6	A'	1308	1281
7	A'	1142	1118
8	A'	939	919
9	A'	652	639
10	A'	240	235
11	A"	3105	3040
12	A"	1483	1452
13	A"	1097	1073
14	A"	547	535
15	A"	101	99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	-1.565	0.000
N2	0.709	-0.311	0.000
N3	0.000	0.719	0.000
N4	-0.527	1.747	0.000
H5	0.646	-2.393	0.000
H6	-0.718	-1.648	0.903
H7	-0.718	-1.648	-0.903

	C1	N2	N3	N4	H5	H6	H7
C1		1.4816	2.2850	3.3417	1.1011	1.1079	1.1079
N2	1.4816		1.2498	2.4002	2.0826	2.1534	2.1534
N3	2.2850	1.2498		1.1554	3.1775	2.6328	2.6328
N4	3.3417	2.4002	1.1554		4.3023	3.5181	3.5181
H5	1.1011	2.0826	3.1775	4.3023		1.7966	1.7966
H6	1.1079	2.1534	2.6328	3.5181	1.7966		1.8050
H7	1.1079	2.1534	2.6328	3.5181	1.7966	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.284	N2	C1	H5	106.556
N2	C1	H6	111.710	N2	C1	H7	111.710
N2	N3	N4	172.598	H5	C1	H6	108.835
H5	C1	H7	108.835	H6	C1	H7	109.094

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

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