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	hartrees
Energy at 0K	-203.643288
Energy at 298.15K	-203.647950
HF Energy	-202.888563
Nuclear repulsion energy	108.310675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3037	7.95
2	A'	3076	2914	33.50
3	A'	2235	2118	470.92
4	A'	1526	1446	13.83
5	A'	1480	1402	13.00
6	A'	1336	1266	133.77
7	A'	1175	1113	11.32
8	A'	960	910	17.18
9	A'	686	650	6.70
10	A'	253	239	5.84
11	A"	3147	2982	21.79
12	A"	1527	1447	5.94
13	A"	1132	1072	0.57
14	A"	611	579	9.70
15	A"	111	105	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.064	-1.549	0.000
N2	0.709	-0.295	0.000
N3	0.000	0.717	0.000
N4	-0.550	1.710	0.000
H5	0.662	-2.360	0.000
H6	-0.692	-1.636	0.892
H7	-0.692	-1.636	-0.892

	C1	N2	N3	N4	H5	H6	H7
C1		1.4733	2.2676	3.2958	1.0880	1.0939	1.0939
N2	1.4733		1.2358	2.3678	2.0651	2.1340	2.1340
N3	2.2676	1.2358		1.1353	3.1474	2.6097	2.6097
N4	3.2958	2.3678	1.1353		4.2467	3.4657	3.4657
H5	1.0880	2.0651	3.1474	4.2467		1.7754	1.7754
H6	1.0939	2.1340	2.6097	3.4657	1.7754		1.7834
H7	1.0939	2.1340	2.6097	3.4657	1.7754	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.371	N2	C1	H5	106.498
N2	C1	H6	111.601	N2	C1	H7	111.601
N2	N3	N4	174.000	H5	C1	H6	108.920
H5	C1	H7	108.920	H6	C1	H7	109.206

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

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

States and conformations

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