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	hartrees
Energy at 0K	-203.916107
Energy at 298.15K	-203.920710
HF Energy	-203.689727
Nuclear repulsion energy	107.407326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3060	9.21
2	A'	3045	2918	47.25
3	A'	2209	2118	371.33
4	A'	1484	1422	14.71
5	A'	1438	1379	15.57
6	A'	1338	1282	97.83
7	A'	1145	1098	14.09
8	A'	936	897	17.90
9	A'	661	633	9.99
10	A'	244	234	7.04
11	A"	3119	2990	29.61
12	A"	1483	1422	6.62
13	A"	1102	1056	0.26
14	A"	557	534	9.51
15	A"	117	112	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.081	-1.573	0.000
N2	0.681	-0.313	0.000
N3	0.000	0.720	0.000
N4	-0.501	1.759	0.000
H5	0.655	-2.384	0.000
H6	-0.714	-1.667	0.898
H7	-0.714	-1.667	-0.898

	C1	N2	N3	N4	H5	H6	H7
C1		1.4724	2.2950	3.3584	1.0953	1.1025	1.1025
N2	1.4724		1.2379	2.3857	2.0709	2.1409	2.1409
N3	2.2950	1.2379		1.1531	3.1729	2.6484	2.6484
N4	3.3584	2.3857	1.1531		4.3013	3.5476	3.5476
H5	1.0953	2.0709	3.1729	4.3013		1.7875	1.7875
H6	1.1025	2.1409	2.6484	3.5476	1.7875		1.7960
H7	1.1025	2.1409	2.6484	3.5476	1.7875	1.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.450	N2	C1	H5	106.591
N2	C1	H6	111.694	N2	C1	H7	111.694
N2	N3	N4	172.393	H5	C1	H6	108.840
H5	C1	H7	108.840	H6	C1	H7	109.083

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVDZ

States and conformations

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