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	hartrees
Energy at 0K	-203.732344
Energy at 298.15K	-203.737020
HF Energy	-202.946350
Nuclear repulsion energy	108.818054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3049	7.76
2	A'	3050	2919	39.65
3	A'	2304	2205	635.67
4	A'	1522	1456	15.74
5	A'	1474	1410	9.53
6	A'	1338	1280	178.52
7	A'	1171	1120	9.27
8	A'	960	919	19.16
9	A'	696	666	5.39
10	A'	251	240	4.93
11	A"	3117	2983	24.31
12	A"	1526	1460	7.37
13	A"	1130	1081	1.11
14	A"	603	577	6.25
15	A"	115	110	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.059	-1.540	0.000
N2	0.716	-0.287	0.000
N3	0.000	0.716	0.000
N4	-0.564	1.690	0.000
H5	0.663	-2.350	0.000
H6	-0.684	-1.622	0.891
H7	-0.684	-1.622	-0.891

	C1	N2	N3	N4	H5	H6	H7
C1		1.4734	2.2572	3.2689	1.0849	1.0917	1.0917
N2	1.4734		1.2322	2.3546	2.0639	2.1303	2.1303
N3	2.2572	1.2322		1.1249	3.1372	2.5947	2.5947
N4	3.2689	2.3546	1.1249		4.2218	3.4318	3.4318
H5	1.0849	2.0639	3.1372	4.2218		1.7715	1.7715
H6	1.0917	2.1303	2.5947	3.4318	1.7715		1.7818
H7	1.0917	2.1303	2.5947	3.4318	1.7715	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.778	N2	C1	H5	106.577
N2	C1	H6	111.438	N2	C1	H7	111.438
N2	N3	N4	174.607	H5	C1	H6	108.954
H5	C1	H7	108.954	H6	C1	H7	109.388

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

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