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	hartrees
Energy at 0K	-203.485336
Energy at 298.15K	-203.490051
HF Energy	-202.912340
Nuclear repulsion energy	109.144998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3021	13.53
2	A'	3122	2889	46.86
3	A'	2374	2196	616.35
4	A'	1570	1453	19.80
5	A'	1533	1418	9.25
6	A'	1387	1283	185.07
7	A'	1214	1123	11.40
8	A'	995	921	21.90
9	A'	709	656	7.14
10	A'	259	240	5.79
11	A"	3188	2950	39.45
12	A"	1573	1455	8.84
13	A"	1170	1082	0.93
14	A"	611	565	15.68
15	A"	119	110	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.060	-1.539	0.000
N2	0.705	-0.288	0.000
N3	0.000	0.717	0.000
N4	-0.553	1.691	0.000
H5	0.664	-2.344	0.000
H6	-0.685	-1.629	0.888
H7	-0.685	-1.629	-0.888

	C1	N2	N3	N4	H5	H6	H7
C1		1.4664	2.2571	3.2670	1.0827	1.0899	1.0899
N2	1.4664		1.2283	2.3451	2.0557	2.1258	2.1258
N3	2.2571	1.2283		1.1194	3.1322	2.6004	2.6004
N4	3.2670	2.3451	1.1194		4.2139	3.4387	3.4387
H5	1.0827	2.0557	3.1322	4.2139		1.7667	1.7667
H6	1.0899	2.1258	2.6004	3.4387	1.7667		1.7767
H7	1.0899	2.1258	2.6004	3.4387	1.7667	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.483	N2	C1	H5	106.533
N2	C1	H6	111.688	N2	C1	H7	111.688
N2	N3	N4	174.552	H5	C1	H6	108.817
H5	C1	H7	108.817	H6	C1	H7	109.193

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

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

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