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	hartrees
Energy at 0K	-203.543215
Energy at 298.15K	-203.547836
HF Energy	-202.874746
Nuclear repulsion energy	108.339384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3044	9.56
2	A'	3121	2908	44.65
3	A'	2353	2192	641.01
4	A'	1553	1447	16.85
5	A'	1509	1406	10.19
6	A'	1355	1263	166.07
7	A'	1186	1105	10.90
8	A'	973	906	17.86
9	A'	680	634	4.88
10	A'	253	236	5.04
11	A"	3196	2977	30.87
12	A"	1550	1444	6.93
13	A"	1140	1062	1.62
14	A"	547	510	8.59
15	A"	108	101	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.064	-1.544	0.000
N2	0.719	-0.295	0.000
N3	0.000	0.717	0.000
N4	-0.561	1.702	0.000
H5	0.655	-2.354	0.000
H6	-0.688	-1.625	0.889
H7	-0.688	-1.625	-0.889

	C1	N2	N3	N4	H5	H6	H7
C1		1.4744	2.2622	3.2843	1.0827	1.0895	1.0895
N2	1.4744		1.2417	2.3724	2.0596	2.1310	2.1310
N3	2.2622	1.2417		1.1337	3.1398	2.5983	2.5983
N4	3.2843	2.3724	1.1337		4.2343	3.4467	3.4467
H5	1.0827	2.0596	3.1398	4.2343		1.7679	1.7679
H6	1.0895	2.1310	2.5983	3.4467	1.7679		1.7785
H7	1.0895	2.1310	2.5983	3.4467	1.7679	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.517	N2	C1	H5	106.296
N2	C1	H6	111.556	N2	C1	H7	111.556
N2	N3	N4	174.265	H5	C1	H6	108.956
H5	C1	H7	108.956	H6	C1	H7	109.417

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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