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	hartrees
Energy at 0K	-202.090844
Energy at 298.15K	-202.095434
HF Energy	-201.688629
Nuclear repulsion energy	106.311888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3019	10.34
2	A'	3111	2907	29.45
3	A'	2105	1967	370.49
4	A'	1611	1505	14.44
5	A'	1529	1429	17.96
6	A'	1194	1116	103.00
7	A'	1169	1093	64.55
8	A'	838	783	13.30
9	A'	665	621	11.52
10	A'	254	237	6.51
11	A"	3169	2961	31.17
12	A"	1609	1504	7.61
13	A"	1145	1070	0.05
14	A"	524	489	10.76
15	A"	131	123	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.119	-1.591	0.000
N2	0.709	-0.323	0.000
N3	0.000	0.734	0.000
N4	-0.481	1.772	0.000
H5	0.604	-2.402	0.000
H6	-0.744	-1.664	0.892
H7	-0.744	-1.664	-0.892

	C1	N2	N3	N4	H5	H6	H7
C1		1.5141	2.3287	3.3823	1.0866	1.0921	1.0921
N2	1.5141		1.2731	2.4089	2.0818	2.1689	2.1689
N3	2.3287	1.2731		1.1432	3.1945	2.6649	2.6649
N4	3.3823	2.4089	1.1432		4.3127	3.5592	3.5592
H5	1.0866	2.0818	3.1945	4.3127		1.7777	1.7777
H6	1.0921	2.1689	2.6649	3.5592	1.7777		1.7847
H7	1.0921	2.1689	2.6649	3.5592	1.7777	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.052	N2	C1	H5	105.161
N2	C1	H6	111.628	N2	C1	H7	111.628
N2	N3	N4	171.033	H5	C1	H6	109.361
H5	C1	H7	109.361	H6	C1	H7	109.585

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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