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	hartrees
Energy at 0K	-203.671186
Energy at 298.15K	-203.675859
HF Energy	-202.885125
Nuclear repulsion energy	107.981191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3056	3.74
2	A'	3106	2920	32.98
3	A'	2364	2222	313.25
4	A'	1534	1442	14.69
5	A'	1473	1385	11.24
6	A'	1348	1267	103.25
7	A'	1169	1099	9.27
8	A'	947	891	20.03
9	A'	703	660	8.32
10	A'	233	219	8.78
11	A"	3195	3003	14.72
12	A"	1537	1445	6.85
13	A"	1139	1071	0.14
14	A"	584	549	6.75
15	A"	139	131	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.067	-1.563	0.000
N2	0.688	-0.305	0.000
N3	0.000	0.716	0.000
N4	-0.528	1.739	0.000
H5	0.666	-2.362	0.000
H6	-0.691	-1.652	0.890
H7	-0.691	-1.652	-0.890

	C1	N2	N3	N4	H5	H6	H7
C1		1.4678	2.2797	3.3337	1.0844	1.0903	1.0903
N2	1.4678		1.2303	2.3774	2.0574	2.1236	2.1236
N3	2.2797	1.2303		1.1512	3.1487	2.6223	2.6223
N4	3.3337	2.3774	1.1512		4.2708	3.5096	3.5096
H5	1.0844	2.0574	3.1487	4.2708		1.7713	1.7713
H6	1.0903	2.1236	2.6223	3.5096	1.7713		1.7796
H7	1.0903	2.1236	2.6223	3.5096	1.7713	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.051	N2	C1	H5	106.469
N2	C1	H6	111.376	N2	C1	H7	111.376
N2	N3	N4	173.303	H5	C1	H6	109.073
H5	C1	H7	109.073	H6	C1	H7	109.389

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

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

States and conformations

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