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	hartrees
Energy at 0K	-203.523611
Energy at 298.15K	-203.528261
HF Energy	-202.868144
Nuclear repulsion energy	107.977470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3046	11.92
2	A'	3107	2913	41.81
3	A'	2335	2189	505.05
4	A'	1557	1460	12.29
5	A'	1507	1413	15.79
6	A'	1349	1265	151.67
7	A'	1185	1111	11.70
8	A'	967	906	16.80
9	A'	685	642	5.75
10	A'	251	235	5.55
11	A"	3182	2984	32.67
12	A"	1555	1458	4.94
13	A"	1144	1073	1.05
14	A"	586	550	12.72
15	A"	113	106	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.067	-1.552	0.000
N2	0.713	-0.300	0.000
N3	0.000	0.719	0.000
N4	-0.552	1.717	0.000
H5	0.657	-2.361	0.000
H6	-0.694	-1.638	0.889
H7	-0.694	-1.638	-0.889

	C1	N2	N3	N4	H5	H6	H7
C1		1.4749	2.2719	3.3044	1.0850	1.0915	1.0915
N2	1.4749		1.2440	2.3808	2.0615	2.1354	2.1354
N3	2.2719	1.2440		1.1401	3.1490	2.6127	2.6127
N4	3.3044	2.3808	1.1401		4.2528	3.4732	3.4732
H5	1.0850	2.0615	3.1490	4.2528		1.7711	1.7711
H6	1.0915	2.1354	2.6127	3.4732	1.7711		1.7787
H7	1.0915	2.1354	2.6127	3.4732	1.7711	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.084	N2	C1	H5	106.274
N2	C1	H6	111.746	N2	C1	H7	111.746
N2	N3	N4	173.956	H5	C1	H6	108.921
H5	C1	H7	108.921	H6	C1	H7	109.131

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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