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	hartrees
Energy at 0K	-203.666409
Energy at 298.15K	-203.671104
HF Energy	-202.891128
Nuclear repulsion energy	109.070973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3248	5.91
2	A'	3115	3115	30.77
3	A'	2385	2385	555.63
4	A'	1543	1543	17.29
5	A'	1495	1495	7.25
6	A'	1377	1377	145.59
7	A'	1188	1188	8.16
8	A'	983	983	18.56
9	A'	712	712	5.09
10	A'	257	257	5.13
11	A"	3189	3189	19.48
12	A"	1549	1549	6.82
13	A"	1143	1143	0.44
14	A"	631	631	11.45
15	A"	107	107	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.055	-1.535	0.000
N2	0.715	-0.284	0.000
N3	0.000	0.715	0.000
N4	-0.569	1.683	0.000
H5	0.667	-2.343	0.000
H6	-0.680	-1.624	0.889
H7	-0.680	-1.624	-0.889

	C1	N2	N3	N4	H5	H6	H7
C1		1.4696	2.2510	3.2591	1.0839	1.0900	1.0900
N2	1.4696		1.2284	2.3488	2.0604	2.1288	2.1288
N3	2.2510	1.2284		1.1228	3.1306	2.5927	2.5927
N4	3.2591	2.3488	1.1228		4.2121	3.4258	3.4258
H5	1.0839	2.0604	3.1306	4.2121		1.7672	1.7672
H6	1.0900	2.1288	2.5927	3.4258	1.7672		1.7770
H7	1.0900	2.1288	2.5927	3.4258	1.7672	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.790	N2	C1	H5	106.610
N2	C1	H6	111.694	N2	C1	H7	111.694
N2	N3	N4	174.847	H5	C1	H6	108.763
H5	C1	H7	108.763	H6	C1	H7	109.209

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

using model chemistry: MP3=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: MP3=FULL/6-31G(2df,p)

States and conformations

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