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	hartrees
Energy at 0K	-203.907867
Energy at 298.15K	-203.912471
HF Energy	-203.677796
Nuclear repulsion energy	107.471300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3214	10.24
2	A'	3074	3074	43.01
3	A'	2212	2212	384.16
4	A'	1532	1532	12.92
5	A'	1479	1479	18.00
6	A'	1339	1339	100.04
7	A'	1165	1165	12.42
8	A'	931	931	17.24
9	A'	660	660	10.38
10	A'	244	244	7.36
11	A"	3147	3147	27.93
12	A"	1531	1531	5.90
13	A"	1129	1129	0.23
14	A"	558	558	9.81
15	A"	118	118	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.082	-1.576	0.000
N2	0.678	-0.315	0.000
N3	0.000	0.721	0.000
N4	-0.498	1.761	0.000
H5	0.652	-2.377	0.000
H6	-0.709	-1.668	0.890
H7	-0.709	-1.668	-0.890

	C1	N2	N3	N4	H5	H6	H7
C1		1.4726	2.2985	3.3635	1.0861	1.0925	1.0925
N2	1.4726		1.2382	2.3866	2.0619	2.1322	2.1322
N3	2.2985	1.2382		1.1538	3.1654	2.6460	2.6460
N4	3.3635	2.3866	1.1538		4.2951	3.5494	3.5494
H5	1.0861	2.0619	3.1654	4.2951		1.7736	1.7736
H6	1.0925	2.1322	2.6460	3.5494	1.7736		1.7809
H7	1.0925	2.1322	2.6460	3.5494	1.7736	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.698	N2	C1	H5	106.398
N2	C1	H6	111.587	N2	C1	H7	111.587
N2	N3	N4	172.370	H5	C1	H6	108.993
H5	C1	H7	108.993	H6	C1	H7	109.191

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G**

States and conformations

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