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	hartrees
Energy at 0K	-203.982154
Energy at 298.15K
HF Energy	-203.725881
Nuclear repulsion energy	107.823287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	10.59
2	A'	3042	3042	47.32
3	A'	2199	2199	414.22
4	A'	1509	1509	15.03
5	A'	1464	1464	14.44
6	A'	1335	1335	100.34
7	A'	1157	1157	12.63
8	A'	927	927	17.46
9	A'	661	661	10.93
10	A'	244	244	7.28
11	A"	3107	3107	32.36
12	A"	1508	1508	7.88
13	A"	1119	1119	0.37
14	A"	554	554	9.01
15	A"	117	117	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	-1.573	0.000
N2	0.677	-0.309	0.000
N3	0.000	0.721	0.000
N4	-0.501	1.752	0.000
H5	0.655	-2.374	0.000
H6	-0.705	-1.664	0.892
H7	-0.705	-1.664	-0.892

	C1	N2	N3	N4	H5	H6	H7
C1		1.4724	2.2949	3.3512	1.0865	1.0936	1.0936
N2	1.4724		1.2325	2.3737	2.0643	2.1311	2.1311
N3	2.2949	1.2325		1.1462	3.1628	2.6421	2.6421
N4	3.3512	2.3737	1.1462		4.2841	3.5364	3.5364
H5	1.0865	2.0643	3.1628	4.2841		1.7747	1.7747
H6	1.0936	2.1311	2.6421	3.5364	1.7747		1.7840
H7	1.0936	2.1311	2.6421	3.5364	1.7747	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.793	N2	C1	H5	106.575
N2	C1	H6	111.449	N2	C1	H7	111.449
N2	N3	N4	172.593	H5	C1	H6	108.987
H5	C1	H7	108.987	H6	C1	H7	109.307

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G**

States and conformations

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