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	hartrees
Energy at 0K	-203.214336
Energy at 298.15K	-203.218850
HF Energy	-202.728796
Nuclear repulsion energy	104.541689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3051	7.73
2	A'	3063	2910	42.54
3	A'	2432	2310	159.66
4	A'	1569	1491	16.85
5	A'	1508	1432	11.14
6	A'	1234	1173	140.49
7	A'	1165	1107	9.40
8	A'	808	768	8.45
9	A'	629	598	17.32
10	A'	223	211	15.28
11	A"	3144	2987	30.68
12	A"	1557	1479	7.61
13	A"	1148	1091	0.29
14	A"	427	405	4.40
15	A"	176	167	2.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.504	-0.714	0.000
N2	0.000	-0.714	0.000
N3	0.643	0.389	0.000
N4	1.447	1.254	0.000
H5	-1.783	-1.769	0.000
H6	-1.908	-0.228	0.898
H7	-1.908	-0.228	-0.898

	C1	N2	N3	N4	H5	H6	H7
C1		1.5043	2.4139	3.5467	1.0915	1.0981	1.0981
N2	1.5043		1.2767	2.4422	2.0719	2.1642	2.1642
N3	2.4139	1.2767		1.1804	3.2471	2.7740	2.7740
N4	3.5467	2.4422	1.1804		4.4236	3.7758	3.7758
H5	1.0915	2.0719	3.2471	4.4236		1.7882	1.7882
H6	1.0981	2.1642	2.7740	3.7758	1.7882		1.7961
H7	1.0981	2.1642	2.7740	3.7758	1.7882	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	120.233	N2	C1	H5	104.795
N2	C1	H6	111.582	N2	C1	H7	111.582
N2	N3	N4	167.315	H5	C1	H6	109.508
H5	C1	H7	109.508	H6	C1	H7	109.739

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

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

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