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	hartrees
Energy at 0K	-203.768464
Energy at 298.15K	-203.773099
HF Energy	-202.939811
Nuclear repulsion energy	108.030207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3162	3082
2	A'	3030	2953
3	A'	2179	2124
4	A'	1504	1466
5	A'	1446	1410
6	A'	1303	1270
7	A'	1151	1122
8	A'	935	911
9	A'	670	653
10	A'	244	238
11	A"	3097	3019
12	A"	1506	1468
13	A"	1112	1084
14	A"	575	560
15	A"	122	119

Atom	x (Å)	y (Å)	z (Å)
C1	-0.071	-1.554	0.000
N2	0.709	-0.300	0.000
N3	0.000	0.716	0.000
N4	-0.541	1.721	0.000
H5	0.649	-2.367	0.000
H6	-0.698	-1.634	0.892
H7	-0.698	-1.634	-0.892

	C1	N2	N3	N4	H5	H6	H7
C1		1.4769	2.2710	3.3080	1.0864	1.0928	1.0928
N2	1.4769		1.2387	2.3759	2.0686	2.1340	2.1340
N3	2.2710	1.2387		1.1411	3.1510	2.6085	2.6085
N4	3.3080	2.3759	1.1411		4.2578	3.4745	3.4745
H5	1.0864	2.0686	3.1510	4.2578		1.7739	1.7739
H6	1.0928	2.1340	2.6085	3.4745	1.7739		1.7833
H7	1.0928	2.1340	2.6085	3.4745	1.7739	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.207	N2	C1	H5	106.613
N2	C1	H6	111.411	N2	C1	H7	111.411
N2	N3	N4	173.410	H5	C1	H6	108.979
H5	C1	H7	108.979	H6	C1	H7	109.360

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

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

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-pVTZ

States and conformations

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