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	hartrees
Energy at 0K	-203.620676
Energy at 298.15K	-203.625203
HF Energy	-202.928853
Nuclear repulsion energy	108.333144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3048	12.05
2	A'	3053	2917	45.69
3	A'	2203	2104	541.57
4	A'	1520	1452	15.39
5	A'	1491	1424	17.85
6	A'	1315	1256	159.45
7	A'	1174	1122	12.74
8	A'	949	906	16.98
9	A'	655	626	7.99
10	A'	240	229	5.33
11	A"	3119	2980	33.56
12	A"	1510	1442	6.39
13	A"	1134	1083	1.70
14	A"	490	468	11.05
15	A"	97	93	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.078	-1.549	0.000
N2	0.706	-0.302	0.000
N3	0.000	0.715	0.000
N4	-0.528	1.718	0.000
H5	0.638	-2.367	0.000
H6	-0.706	-1.629	0.892
H7	-0.706	-1.629	-0.892

	C1	N2	N3	N4	H5	H6	H7
C1		1.4731	2.2655	3.2980	1.0866	1.0935	1.0935
N2	1.4731		1.2377	2.3669	2.0661	2.1331	2.1331
N3	2.2655	1.2377		1.1336	3.1471	2.6056	2.6056
N4	3.2980	2.3669	1.1336		4.2479	3.4685	3.4685
H5	1.0866	2.0661	3.1471	4.2479		1.7732	1.7732
H6	1.0935	2.1331	2.6056	3.4685	1.7732		1.7831
H7	1.0935	2.1331	2.6056	3.4685	1.7732	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.094	N2	C1	H5	106.666
N2	C1	H6	111.570	N2	C1	H7	111.570
N2	N3	N4	173.011	H5	C1	H6	108.853
H5	C1	H7	108.853	H6	C1	H7	109.233

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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