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	hartrees
Energy at 0K	-203.544270
Energy at 298.15K	-203.548887
HF Energy	-202.881097
Nuclear repulsion energy	107.479366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3057	11.86
2	A'	3045	2921	46.11
3	A'	2209	2119	438.59
4	A'	1494	1433	14.09
5	A'	1451	1392	17.43
6	A'	1326	1272	128.46
7	A'	1157	1110	16.70
8	A'	959	920	15.81
9	A'	665	638	6.67
10	A'	249	239	5.49
11	A"	3118	2992	34.31
12	A"	1495	1434	5.62
13	A"	1109	1064	0.98
14	A"	571	548	10.82
15	A"	110	105	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.073	-1.557	0.000
N2	0.712	-0.305	0.000
N3	0.000	0.719	0.000
N4	-0.540	1.730	0.000
H5	0.654	-2.382	0.000
H6	-0.709	-1.643	0.901
H7	-0.709	-1.643	-0.901

	C1	N2	N3	N4	H5	H6	H7
C1		1.4770	2.2769	3.3200	1.0998	1.1068	1.1068
N2	1.4770		1.2471	2.3893	2.0780	2.1498	2.1498
N3	2.2769	1.2471		1.1463	3.1695	2.6259	2.6259
N4	3.3200	2.3893	1.1463		4.2823	3.4960	3.4960
H5	1.0998	2.0780	3.1695	4.2823		1.7935	1.7935
H6	1.1068	2.1498	2.6259	3.4960	1.7935		1.8025
H7	1.1068	2.1498	2.6259	3.4960	1.7935	1.8025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.133	N2	C1	H5	106.576
N2	C1	H6	111.818	N2	C1	H7	111.818
N2	N3	N4	173.298	H5	C1	H6	108.739
H5	C1	H7	108.739	H6	C1	H7	109.041

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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