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	hartrees
Energy at 0K	-203.554415
Energy at 298.15K	-203.559040
HF Energy	-202.867790
Nuclear repulsion energy	107.154940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3072	6.18
2	A'	3114	2924	47.03
3	A'	2356	2213	357.40
4	A'	1545	1451	15.35
5	A'	1488	1397	14.36
6	A'	1327	1246	120.54
7	A'	1169	1098	11.53
8	A'	932	875	19.61
9	A'	678	637	9.44
10	A'	233	219	9.26
11	A"	3204	3009	23.81
12	A"	1539	1445	7.28
13	A"	1137	1068	1.10
14	A"	523	491	4.19
15	A"	145	136	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	-1.576	0.000
N2	0.689	-0.317	0.000
N3	0.000	0.719	0.000
N4	-0.514	1.762	0.000
H5	0.653	-2.375	0.000
H6	-0.701	-1.658	0.891
H7	-0.701	-1.658	-0.891

	C1	N2	N3	N4	H5	H6	H7
C1		1.4748	2.2964	3.3664	1.0832	1.0898	1.0898
N2	1.4748		1.2443	2.4023	2.0577	2.1269	2.1269
N3	2.2964	1.2443		1.1630	3.1616	2.6331	2.6331
N4	3.3664	2.4023	1.1630		4.2981	3.5387	3.5387
H5	1.0832	2.0577	3.1616	4.2981		1.7725	1.7725
H6	1.0898	2.1269	2.6331	3.5387	1.7725		1.7820
H7	1.0898	2.1269	2.6331	3.5387	1.7725	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.983	N2	C1	H5	106.097
N2	C1	H6	111.171	N2	C1	H7	111.171
N2	N3	N4	172.614	H5	C1	H6	109.314
H5	C1	H7	109.314	H6	C1	H7	109.690

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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