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	hartrees
Energy at 0K	-203.059411
Energy at 298.15K	-203.063980
HF Energy	-203.059411
Nuclear repulsion energy	108.514023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3087	3055	3.32
2	A'	2941	2910	42.87
3	A'	2282	2259	420.95
4	A'	1435	1420	50.32
5	A'	1402	1388	5.47
6	A'	1374	1360	35.40
7	A'	1102	1091	11.01
8	A'	956	946	19.06
9	A'	657	650	10.38
10	A'	239	236	8.15
11	A"	3004	2973	19.56
12	A"	1422	1407	12.23
13	A"	1062	1051	0.15
14	A"	571	565	10.37
15	A"	102	101	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.439	-0.626	0.000
N2	0.000	-0.714	0.000
N3	0.648	0.315	0.000
N4	1.367	1.202	0.000
H5	-1.832	-1.650	0.000
H6	-1.821	-0.108	0.898
H7	-1.821	-0.108	-0.898

	C1	N2	N3	N4	H5	H6	H7
C1		1.4420	2.2898	3.3499	1.0965	1.1045	1.1045
N2	1.4420		1.2161	2.3544	2.0572	2.1189	2.1189
N3	2.2898	1.2161		1.1425	3.1642	2.6613	2.6613
N4	3.3499	2.3544	1.1425		4.2864	3.5625	3.5625
H5	1.0965	2.0572	3.1642	4.2864		1.7841	1.7841
H6	1.1045	2.1189	2.6613	3.5625	1.7841		1.7955
H7	1.1045	2.1189	2.6613	3.5625	1.7841	1.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	118.718	N2	C1	H5	107.492
N2	C1	H6	111.940	N2	C1	H7	111.940
N2	N3	N4	173.194	H5	C1	H6	108.301
H5	C1	H7	108.301	H6	C1	H7	108.734

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

using model chemistry: SVWN/6-311G**

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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Number	Element	Mulliken
1	C	-0.327
2	N	-0.224
3	N	0.204
4	N	-0.167
5	H	0.179
6	H	0.168
7	H	0.168

	x	y	z	Total
	-2.504	-0.569	0.000	2.568
CHELPG
AIM
ESP

	x	y	z
x	5.901	2.289	0.000
y	2.289	5.551	0.000
z	0.000	0.000	3.058

<r²>	74.521
(<r²>)^1/2	8.633

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

using model chemistry: SVWN/6-311G**

States and conformations

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