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	hartrees
Energy at 0K	-203.599914
Energy at 298.15K	-203.604547
HF Energy	-202.908657
Nuclear repulsion energy	107.494586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3055	7.91
2	A'	3064	2911	45.98
3	A'	2360	2243	300.93
4	A'	1516	1441	14.96
5	A'	1468	1395	13.46
6	A'	1331	1265	109.48
7	A'	1160	1102	11.13
8	A'	939	892	18.60
9	A'	686	652	8.82
10	A'	232	221	8.54
11	A"	3144	2987	28.43
12	A"	1510	1435	7.24
13	A"	1128	1072	0.65
14	A"	539	513	6.86
15	A"	138	131	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.077	-1.570	0.000
N2	0.689	-0.311	0.000
N3	0.000	0.717	0.000
N4	-0.515	1.752	0.000
H5	0.656	-2.374	0.000
H6	-0.704	-1.656	0.894
H7	-0.704	-1.656	-0.894

	C1	N2	N3	N4	H5	H6	H7
C1		1.4737	2.2887	3.3503	1.0882	1.0951	1.0951
N2	1.4737		1.2380	2.3885	2.0637	2.1326	2.1326
N3	2.2887	1.2380		1.1555	3.1606	2.6319	2.6319
N4	3.3503	2.3885	1.1555		4.2890	3.5277	3.5277
H5	1.0882	2.0637	3.1606	4.2890		1.7788	1.7788
H6	1.0951	2.1326	2.6319	3.5277	1.7788		1.7876
H7	1.0951	2.1326	2.6319	3.5277	1.7788	1.7876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.851	N2	C1	H5	106.345
N2	C1	H6	111.383	N2	C1	H7	111.383
N2	N3	N4	172.667	H5	C1	H6	109.121
H5	C1	H7	109.121	H6	C1	H7	109.405

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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