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	hartrees
Energy at 0K	-203.776001
Energy at 298.15K	-203.780711
HF Energy	-202.945169
Nuclear repulsion energy	109.471190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	2994	8.84
2	A'	3089	2881	38.77
3	A'	2379	2219	624.04
4	A'	1534	1431	18.70
5	A'	1482	1382	6.45
6	A'	1374	1281	165.73
7	A'	1175	1096	10.39
8	A'	981	915	19.53
9	A'	715	666	4.74
10	A'	257	240	4.85
11	A"	3140	2929	26.91
12	A"	1535	1432	7.17
13	A"	1131	1055	0.92
14	A"	630	588	10.74
15	A"	112	105	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.055	-1.531	0.000
N2	0.712	-0.283	0.000
N3	0.000	0.714	0.000
N4	-0.566	1.677	0.000
H5	0.662	-2.338	0.000
H6	-0.679	-1.619	0.885
H7	-0.679	-1.619	-0.885

	C1	N2	N3	N4	H5	H6	H7
C1		1.4648	2.2452	3.2479	1.0795	1.0864	1.0864
N2	1.4648		1.2248	2.3393	2.0558	2.1219	2.1219
N3	2.2452	1.2248		1.1168	3.1227	2.5856	2.5856
N4	3.2479	2.3393	1.1168		4.1982	3.4143	3.4143
H5	1.0795	2.0558	3.1227	4.1982		1.7599	1.7599
H6	1.0864	2.1219	2.5856	3.4143	1.7599		1.7703
H7	1.0864	2.1219	2.5856	3.4143	1.7599	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.879	N2	C1	H5	106.823
N2	C1	H6	111.696	N2	C1	H7	111.696
N2	N3	N4	174.883	H5	C1	H6	108.695
H5	C1	H7	108.695	H6	C1	H7	109.130

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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