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	hartrees
Energy at 0K	-203.652842
Energy at 298.15K	-203.657492
HF Energy	-202.904551
Nuclear repulsion energy	107.596263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3056	7.67
2	A'	3074	2911	44.59
3	A'	2366	2240	310.55
4	A'	1535	1454	17.59
5	A'	1487	1408	10.77
6	A'	1341	1270	105.31
7	A'	1170	1108	9.39
8	A'	941	891	19.60
9	A'	690	653	9.57
10	A'	233	221	9.19
11	A"	3156	2989	27.27
12	A"	1533	1452	9.55
13	A"	1140	1080	0.24
14	A"	546	517	7.34
15	A"	146	138	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.076	-1.571	0.000
N2	0.685	-0.311	0.000
N3	0.000	0.718	0.000
N4	-0.514	1.752	0.000
H5	0.660	-2.370	0.000
H6	-0.701	-1.658	0.893
H7	-0.701	-1.658	-0.893

	C1	N2	N3	N4	H5	H6	H7
C1		1.4717	2.2897	3.3516	1.0866	1.0934	1.0934
N2	1.4717		1.2355	2.3857	2.0597	2.1289	2.1289
N3	2.2897	1.2355		1.1549	3.1577	2.6331	2.6331
N4	3.3516	2.3857	1.1549		4.2862	3.5301	3.5301
H5	1.0866	2.0597	3.1577	4.2862		1.7766	1.7766
H6	1.0934	2.1289	2.6331	3.5301	1.7766		1.7859
H7	1.0934	2.1289	2.6331	3.5301	1.7766	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.234	N2	C1	H5	106.262
N2	C1	H6	111.333	N2	C1	H7	111.333
N2	N3	N4	172.761	H5	C1	H6	109.164
H5	C1	H7	109.164	H6	C1	H7	109.497

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3N3 (methyl azide)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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