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	hartrees
Energy at 0K	-203.534109
Energy at 298.15K	-203.538729
HF Energy	-202.866467
Nuclear repulsion energy	107.635080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3045	13.10
2	A'	3098	2917	42.45
3	A'	2208	2079	452.23
4	A'	1554	1463	11.51
5	A'	1501	1413	19.76
6	A'	1328	1250	132.98
7	A'	1181	1112	14.16
8	A'	956	900	15.16
9	A'	663	624	7.15
10	A'	249	235	5.83
11	A"	3173	2987	32.59
12	A"	1552	1461	4.79
13	A"	1141	1074	1.01
14	A"	575	541	11.10
15	A"	110	104	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.075	-1.560	0.000
N2	0.706	-0.309	0.000
N3	0.000	0.719	0.000
N4	-0.534	1.734	0.000
H5	0.647	-2.370	0.000
H6	-0.702	-1.643	0.890
H7	-0.702	-1.643	-0.890

	C1	N2	N3	N4	H5	H6	H7
C1		1.4750	2.2802	3.3258	1.0858	1.0918	1.0918
N2	1.4750		1.2471	2.3899	2.0627	2.1344	2.1344
N3	2.2802	1.2471		1.1469	3.1567	2.6200	2.6200
N4	3.3258	2.3899	1.1469		4.2713	3.4964	3.4964
H5	1.0858	2.0627	3.1567	4.2713		1.7726	1.7726
H6	1.0918	2.1344	2.6200	3.4964	1.7726		1.7799
H7	1.0918	2.1344	2.6200	3.4964	1.7726	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.519	N2	C1	H5	106.318
N2	C1	H6	111.640	N2	C1	H7	111.640
N2	N3	N4	173.261	H5	C1	H6	108.975
H5	C1	H7	108.975	H6	C1	H7	109.196

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

using model chemistry: QCISD/6-31G**

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**

States and conformations

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