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	hartrees
Energy at 0K	-203.140728
Energy at 298.15K	-203.145238
HF Energy	-202.737862
Nuclear repulsion energy	106.371821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3041	10.02
2	A'	3099	2906	38.82
3	A'	2192	2055	489.77
4	A'	1584	1485	15.72
5	A'	1536	1440	10.85
6	A'	1277	1198	167.53
7	A'	1196	1122	13.99
8	A'	883	828	10.94
9	A'	622	584	15.09
10	A'	249	234	6.92
11	A"	3166	2969	34.43
12	A"	1581	1482	8.89
13	A"	1157	1085	0.63
14	A"	454	426	10.80
15	A"	119	111	2.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.132	-1.607	0.000
N2	0.660	-0.338	0.000
N3	0.000	0.737	0.000
N4	-0.417	1.807	0.000
H5	0.606	-2.406	0.000
H6	-0.758	-1.695	0.894
H7	-0.758	-1.695	-0.894

	C1	N2	N3	N4	H5	H6	H7
C1		1.4962	2.3479	3.4261	1.0876	1.0947	1.0947
N2	1.4962		1.2617	2.4005	2.0683	2.1570	2.1570
N3	2.3479	1.2617		1.1485	3.2006	2.6996	2.6996
N4	3.4261	2.4005	1.1485		4.3352	3.6303	3.6303
H5	1.0876	2.0683	3.2006	4.3352		1.7793	1.7793
H6	1.0947	2.1570	2.6996	3.6303	1.7793		1.7871
H7	1.0947	2.1570	2.6996	3.6303	1.7793	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	116.457	N2	C1	H5	105.257
N2	C1	H6	111.780	N2	C1	H7	111.780
N2	N3	N4	169.738	H5	C1	H6	109.242
H5	C1	H7	109.242	H6	C1	H7	109.420

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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