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	hartrees
Energy at 0K	-203.744944
Energy at 298.15K	-203.749585
HF Energy	-202.940303
Nuclear repulsion energy	107.838593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3060	4.41
2	A'	3064	2919	40.31
3	A'	2306	2197	405.20
4	A'	1515	1444	14.00
5	A'	1453	1385	12.52
6	A'	1318	1256	116.14
7	A'	1152	1098	9.43
8	A'	927	883	19.36
9	A'	688	656	8.54
10	A'	230	220	8.04
11	A"	3145	2997	17.95
12	A"	1517	1446	7.94
13	A"	1123	1070	0.72
14	A"	556	530	3.06
15	A"	137	130	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.070	-1.565	0.000
N2	0.694	-0.304	0.000
N3	0.000	0.716	0.000
N4	-0.530	1.738	0.000
H5	0.661	-2.365	0.000
H6	-0.693	-1.646	0.891
H7	-0.693	-1.646	-0.891

	C1	N2	N3	N4	H5	H6	H7
C1		1.4737	2.2821	3.3347	1.0838	1.0904	1.0904
N2	1.4737		1.2337	2.3807	2.0613	2.1249	2.1249
N3	2.2821	1.2337		1.1512	3.1514	2.6175	2.6175
N4	3.3347	2.3807	1.1512		4.2725	3.5025	3.5025
H5	1.0838	2.0613	3.1514	4.2725		1.7735	1.7735
H6	1.0904	2.1249	2.6175	3.5025	1.7735		1.7823
H7	1.0904	2.1249	2.6175	3.5025	1.7735	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.602	N2	C1	H5	106.410
N2	C1	H6	111.049	N2	C1	H7	111.049
N2	N3	N4	173.223	H5	C1	H6	109.313
H5	C1	H7	109.313	H6	C1	H7	109.633

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

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

States and conformations

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