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	hartrees
Energy at 0K	-203.718097
Energy at 298.15K	-203.722781
HF Energy	-202.943661
Nuclear repulsion energy	108.861415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	2977	9.16
2	A'	3053	2850	40.66
3	A'	2321	2167	578.95
4	A'	1519	1419	16.36
5	A'	1470	1373	9.14
6	A'	1343	1254	169.21
7	A'	1170	1093	10.10
8	A'	965	901	19.51
9	A'	703	656	5.38
10	A'	253	236	5.06
11	A"	3120	2913	27.94
12	A"	1521	1421	6.62
13	A"	1129	1054	0.99
14	A"	612	571	9.89
15	A"	113	106	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.058	-1.538	0.000
N2	0.716	-0.287	0.000
N3	0.000	0.716	0.000
N4	-0.565	1.689	0.000
H5	0.662	-2.349	0.000
H6	-0.684	-1.624	0.889
H7	-0.684	-1.624	-0.889

	C1	N2	N3	N4	H5	H6	H7
C1		1.4718	2.2554	3.2668	1.0843	1.0912	1.0912
N2	1.4718		1.2319	2.3541	2.0632	2.1310	2.1310
N3	2.2554	1.2319		1.1248	3.1359	2.5956	2.5956
N4	3.2668	2.3541	1.1248		4.2202	3.4325	3.4325
H5	1.0843	2.0632	3.1359	4.2202		1.7689	1.7689
H6	1.0912	2.1310	2.5956	3.4325	1.7689		1.7788
H7	1.0912	2.1310	2.5956	3.4325	1.7689	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.760	N2	C1	H5	106.664
N2	C1	H6	111.638	N2	C1	H7	111.638
N2	N3	N4	174.631	H5	C1	H6	108.805
H5	C1	H7	108.805	H6	C1	H7	109.190

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

using model chemistry: CCD/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/cc-pVTZ

States and conformations

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