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	hartrees
Energy at 0K	-203.674624
Energy at 298.15K	-203.679304
HF Energy	-202.889651
Nuclear repulsion energy	108.678087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3031	7.52
2	A'	3089	2909	33.42
3	A'	2278	2145	493.91
4	A'	1538	1448	15.05
5	A'	1488	1401	11.37
6	A'	1354	1274	139.05
7	A'	1183	1114	10.81
8	A'	971	915	18.17
9	A'	696	655	6.44
10	A'	255	240	5.78
11	A"	3161	2977	21.44
12	A"	1544	1454	6.28
13	A"	1141	1075	0.50
14	A"	620	584	10.45
15	A"	110	104	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.059	-1.543	0.000
N2	0.709	-0.291	0.000
N3	0.000	0.716	0.000
N4	-0.557	1.700	0.000
H5	0.665	-2.352	0.000
H6	-0.685	-1.631	0.890
H7	-0.685	-1.631	-0.890

	C1	N2	N3	N4	H5	H6	H7
C1		1.4689	2.2595	3.2811	1.0858	1.0917	1.0917
N2	1.4689		1.2312	2.3594	2.0617	2.1289	2.1289
N3	2.2595	1.2312		1.1311	3.1390	2.6019	2.6019
N4	3.2811	2.3594	1.1311		4.2325	3.4506	3.4506
H5	1.0858	2.0617	3.1390	4.2325		1.7705	1.7705
H6	1.0917	2.1289	2.6019	3.4506	1.7705		1.7798
H7	1.0917	2.1289	2.6019	3.4506	1.7705	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.319	N2	C1	H5	106.646
N2	C1	H6	111.641	N2	C1	H7	111.641
N2	N3	N4	174.350	H5	C1	H6	108.798
H5	C1	H7	108.798	H6	C1	H7	109.214

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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