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	hartrees
Energy at 0K	-203.786730
Energy at 298.15K	-203.791408
HF Energy	-202.939212
Nuclear repulsion energy	108.304674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3055	5.78
2	A'	3084	2928	41.19
3	A'	2341	2223	364.13
4	A'	1525	1448	14.99
5	A'	1458	1385	11.60
6	A'	1343	1275	110.70
7	A'	1154	1096	11.04
8	A'	944	896	20.60
9	A'	703	668	8.25
10	A'	233	221	8.29
11	A"	3151	2992	20.68
12	A"	1524	1447	7.36
13	A"	1125	1068	0.52
14	A"	582	553	6.16
15	A"	140	133	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.066	-1.559	0.000
N2	0.688	-0.303	0.000
N3	0.000	0.714	0.000
N4	-0.529	1.731	0.000
H5	0.662	-2.356	0.000
H6	-0.688	-1.646	0.887
H7	-0.688	-1.646	-0.887

	C1	N2	N3	N4	H5	H6	H7
C1		1.4648	2.2737	3.3222	1.0799	1.0866	1.0866
N2	1.4648		1.2276	2.3702	2.0539	2.1174	2.1174
N3	2.2737	1.2276		1.1465	3.1411	2.6132	2.6132
N4	3.3222	2.3702	1.1465		4.2576	3.4950	3.4950
H5	1.0799	2.0539	3.1411	4.2576		1.7644	1.7644
H6	1.0866	2.1174	2.6132	3.4950	1.7644		1.7732
H7	1.0866	2.1174	2.6132	3.4950	1.7644	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.948	N2	C1	H5	106.653
N2	C1	H6	111.312	N2	C1	H7	111.312
N2	N3	N4	173.424	H5	C1	H6	109.057
H5	C1	H7	109.057	H6	C1	H7	109.369

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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