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	hartrees
Energy at 0K	-203.637342
Energy at 298.15K	-203.642003
HF Energy	-202.884229
Nuclear repulsion energy	107.717081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3063	3.82
2	A'	3096	2925	32.67
3	A'	2355	2225	305.83
4	A'	1524	1440	13.87
5	A'	1466	1385	11.60
6	A'	1337	1263	104.46
7	A'	1162	1097	9.13
8	A'	939	887	19.91
9	A'	700	661	8.15
10	A'	232	219	8.61
11	A"	3184	3007	14.99
12	A"	1522	1438	6.58
13	A"	1130	1067	0.19
14	A"	579	547	6.48
15	A"	138	131	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.070	-1.567	0.000
N2	0.691	-0.306	0.000
N3	0.000	0.717	0.000
N4	-0.528	1.743	0.000
H5	0.666	-2.366	0.000
H6	-0.695	-1.655	0.891
H7	-0.695	-1.655	-0.891

	C1	N2	N3	N4	H5	H6	H7
C1		1.4728	2.2848	3.3412	1.0863	1.0924	1.0924
N2	1.4728		1.2337	2.3831	2.0607	2.1294	2.1294
N3	2.2848	1.2337		1.1537	3.1541	2.6271	2.6271
N4	3.3412	2.3831	1.1537		4.2788	3.5164	3.5164
H5	1.0863	2.0607	3.1541	4.2788		1.7758	1.7758
H6	1.0924	2.1294	2.6271	3.5164	1.7758		1.7828
H7	1.0924	2.1294	2.6271	3.5164	1.7758	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.888	N2	C1	H5	106.288
N2	C1	H6	111.361	N2	C1	H7	111.361
N2	N3	N4	173.179	H5	C1	H6	109.185
H5	C1	H7	109.185	H6	C1	H7	109.378

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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