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	hartrees
Energy at 0K	-203.726020
Energy at 298.15K	-203.730685
HF Energy	-202.942841
Nuclear repulsion energy	108.664303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	2993	10.10
2	A'	3048	2869	41.21
3	A'	2248	2116	539.74
4	A'	1517	1428	15.31
5	A'	1467	1381	11.49
6	A'	1329	1251	159.36
7	A'	1168	1100	11.66
8	A'	959	902	18.54
9	A'	690	650	6.14
10	A'	252	237	5.27
11	A"	3112	2929	28.38
12	A"	1520	1430	6.47
13	A"	1126	1060	0.98
14	A"	605	570	9.26
15	A"	110	104	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.061	-1.542	0.000
N2	0.713	-0.291	0.000
N3	0.000	0.716	0.000
N4	-0.558	1.698	0.000
H5	0.658	-2.354	0.000
H6	-0.688	-1.627	0.890
H7	-0.688	-1.627	-0.890

	C1	N2	N3	N4	H5	H6	H7
C1		1.4719	2.2593	3.2777	1.0847	1.0914	1.0914
N2	1.4719		1.2337	2.3597	2.0639	2.1307	2.1307
N3	2.2593	1.2337		1.1289	3.1398	2.5990	2.5990
N4	3.2777	2.3597	1.1289		4.2300	3.4440	3.4440
H5	1.0847	2.0639	3.1398	4.2300		1.7697	1.7697
H6	1.0914	2.1307	2.5990	3.4440	1.7697		1.7794
H7	1.0914	2.1307	2.5990	3.4440	1.7697	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.948	N2	C1	H5	106.685
N2	C1	H6	111.592	N2	C1	H7	111.592
N2	N3	N4	174.309	H5	C1	H6	108.832
H5	C1	H7	108.832	H6	C1	H7	109.211

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

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

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