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	hartrees
Energy at 0K	-203.723677
Energy at 298.15K	-203.728189
HF Energy	-202.926605
Nuclear repulsion energy	107.912082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3176	3036
2	A'	3036	2903
3	A'	2173	2077
4	A'	1510	1443
5	A'	1477	1412
6	A'	1301	1244
7	A'	1161	1110
8	A'	931	890
9	A'	644	616
10	A'	235	225
11	A"	3105	2968
12	A"	1497	1431
13	A"	1123	1074
14	A"	473	453
15	A"	108	103

Atom	x (Å)	y (Å)	z (Å)
C1	-0.085	-1.557	0.000
N2	0.702	-0.308	0.000
N3	0.000	0.715	0.000
N4	-0.515	1.734	0.000
H5	0.631	-2.376	0.000
H6	-0.713	-1.635	0.892
H7	-0.713	-1.635	-0.892

	C1	N2	N3	N4	H5	H6	H7
C1		1.4767	2.2737	3.3197	1.0873	1.0940	1.0940
N2	1.4767		1.2401	2.3772	2.0692	2.1353	2.1353
N3	2.2737	1.2401		1.1424	3.1542	2.6126	2.6126
N4	3.3197	2.3772	1.1424		4.2668	3.4910	3.4910
H5	1.0873	2.0692	3.1542	4.2668		1.7753	1.7753
H6	1.0940	2.1353	2.6126	3.4910	1.7753		1.7847
H7	1.0940	2.1353	2.6126	3.4910	1.7753	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.345	N2	C1	H5	106.625
N2	C1	H6	111.462	N2	C1	H7	111.462
N2	N3	N4	172.352	H5	C1	H6	108.949
H5	C1	H7	108.949	H6	C1	H7	109.307

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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