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	hartrees
Energy at 0K	-203.828945
Energy at 298.15K	-203.833609
HF Energy	-202.940864
Nuclear repulsion energy	108.382713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3165	3029
2	A'	3047	2916
3	A'	2192	2098
4	A'	1516	1451
5	A'	1455	1393
6	A'	1323	1266
7	A'	1153	1104
8	A'	945	904
9	A'	676	647
10	A'	246	235
11	A"	3100	2966
12	A"	1517	1452
13	A"	1115	1067
14	A"	588	563
15	A"	128	122

Atom	x (Å)	y (Å)	z (Å)
C1	-0.069	-1.551	0.000
N2	0.701	-0.300	0.000
N3	0.000	0.715	0.000
N4	-0.536	1.719	0.000
H5	0.651	-2.360	0.000
H6	-0.694	-1.635	0.889
H7	-0.694	-1.635	-0.889

	C1	N2	N3	N4	H5	H6	H7
C1		1.4692	2.2671	3.3037	1.0829	1.0894	1.0894
N2	1.4692		1.2329	2.3677	2.0610	2.1249	2.1249
N3	2.2671	1.2329		1.1386	3.1431	2.6057	2.6057
N4	3.3037	2.3677	1.1386		4.2486	3.4730	3.4730
H5	1.0829	2.0610	3.1431	4.2486		1.7675	1.7675
H6	1.0894	2.1249	2.6057	3.4730	1.7675		1.7773
H7	1.0894	2.1249	2.6057	3.4730	1.7675	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.783	N2	C1	H5	106.739
N2	C1	H6	111.432	N2	C1	H7	111.432
N2	N3	N4	173.470	H5	C1	H6	108.913
H5	C1	H7	108.913	H6	C1	H7	109.323

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

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/cc-pVTZ

States and conformations

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