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	hartrees
Energy at 0K	-203.571858
Energy at 298.15K	-203.576463
HF Energy	-202.888781
Nuclear repulsion energy	106.711935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3082	6.01
2	A'	3058	2933	44.74
3	A'	2320	2224	366.29
4	A'	1488	1427	14.23
5	A'	1427	1369	10.51
6	A'	1300	1247	119.22
7	A'	1139	1092	9.81
8	A'	921	883	17.92
9	A'	670	642	8.38
10	A'	226	217	7.63
11	A"	3146	3017	21.67
12	A"	1486	1426	7.26
13	A"	1106	1060	0.80
14	A"	514	493	2.42
15	A"	147	141	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.083	-1.578	0.000
N2	0.699	-0.317	0.000
N3	0.000	0.719	0.000
N4	-0.518	1.764	0.000
H5	0.652	-2.390	0.000
H6	-0.712	-1.655	0.902
H7	-0.712	-1.655	-0.902

	C1	N2	N3	N4	H5	H6	H7
C1		1.4838	2.2985	3.3695	1.0953	1.1021	1.1021
N2	1.4838		1.2496	2.4099	2.0736	2.1434	2.1434
N3	2.2985	1.2496		1.1657	3.1766	2.6372	2.6372
N4	3.3695	2.4099	1.1657		4.3149	3.5404	3.5404
H5	1.0953	2.0736	3.1766	4.3149		1.7930	1.7930
H6	1.1021	2.1434	2.6372	3.5404	1.7930		1.8030
H7	1.1021	2.1434	2.6372	3.5404	1.7930	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.193	N2	C1	H5	106.040
N2	C1	H6	111.106	N2	C1	H7	111.106
N2	N3	N4	172.361	H5	C1	H6	109.366
H5	C1	H7	109.366	H6	C1	H7	109.770

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

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