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	hartrees
Energy at 0K	-202.153587
Energy at 298.15K	-202.158082
HF Energy	-201.683519
Nuclear repulsion energy	105.175348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3017	10.89
2	A'	3027	2910	28.20
3	A'	1862	1790	302.74
4	A'	1572	1511	13.38
5	A'	1484	1426	24.68
6	A'	1158	1113	105.91
7	A'	1124	1080	30.64
8	A'	803	772	11.60
9	A'	628	603	12.10
10	A'	245	235	6.91
11	A"	3086	2966	28.51
12	A"	1570	1509	6.83
13	A"	1111	1068	0.03
14	A"	488	469	6.72
15	A"	126	121	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.131	-1.607	0.000
N2	0.709	-0.336	0.000
N3	0.000	0.734	0.000
N4	-0.464	1.804	0.000
H5	0.592	-2.428	0.000
H6	-0.760	-1.673	0.898
H7	-0.760	-1.673	-0.898

	C1	N2	N3	N4	H5	H6	H7
C1		1.5231	2.3450	3.4273	1.0938	1.0988	1.0988
N2	1.5231		1.2836	2.4402	2.0955	2.1796	2.1796
N3	2.3450	1.2836		1.1660	3.2175	2.6792	2.6792
N4	3.4273	2.4402	1.1660		4.3620	3.6030	3.6030
H5	1.0938	2.0955	3.2175	4.3620		1.7903	1.7903
H6	1.0988	2.1796	2.6792	3.6030	1.7903		1.7965
H7	1.0988	2.1796	2.6792	3.6030	1.7903	1.7965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.058	N2	C1	H5	105.224
N2	C1	H6	111.437	N2	C1	H7	111.437
N2	N3	N4	169.955	H5	C1	H6	109.481
H5	C1	H7	109.481	H6	C1	H7	109.674

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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