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	hartrees
Energy at 0K	-203.509903
Energy at 298.15K	-203.514518
HF Energy	-202.861490
Nuclear repulsion energy	107.534600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3040	11.53
2	A'	3062	2916	38.56
3	A'	2207	2102	456.38
4	A'	1543	1469	13.07
5	A'	1494	1423	14.75
6	A'	1328	1265	128.42
7	A'	1177	1120	12.75
8	A'	954	908	15.58
9	A'	663	632	7.64
10	A'	249	237	6.13
11	A"	3131	2982	29.31
12	A"	1543	1469	6.42
13	A"	1137	1082	0.51
14	A"	576	548	11.30
15	A"	113	108	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.074	-1.561	0.000
N2	0.705	-0.308	0.000
N3	0.000	0.720	0.000
N4	-0.534	1.735	0.000
H5	0.656	-2.373	0.000
H6	-0.704	-1.646	0.895
H7	-0.704	-1.646	-0.895

	C1	N2	N3	N4	H5	H6	H7
C1		1.4761	2.2826	3.3285	1.0917	1.0977	1.0977
N2	1.4761		1.2467	2.3898	2.0660	2.1396	2.1396
N3	2.2826	1.2467		1.1473	3.1621	2.6260	2.6260
N4	3.3285	2.3898	1.1473		4.2774	3.5021	3.5021
H5	1.0917	2.0660	3.1621	4.2774		1.7825	1.7825
H6	1.0977	2.1396	2.6260	3.5021	1.7825		1.7906
H7	1.0977	2.1396	2.6260	3.5021	1.7825	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.665	N2	C1	H5	106.176
N2	C1	H6	111.621	N2	C1	H7	111.621
N2	N3	N4	173.304	H5	C1	H6	109.010
H5	C1	H7	109.010	H6	C1	H7	109.302

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)