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	hartrees
Energy at 0K	-203.551084
Energy at 298.15K	-203.555671
HF Energy	-202.859371
Nuclear repulsion energy	107.199607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3180	3087
2	A'	3048	2959
3	A'	2188	2124
4	A'	1536	1491
5	A'	1485	1441
6	A'	1317	1279
7	A'	1166	1132
8	A'	937	910
9	A'	655	636
10	A'	243	236
11	A"	3118	3027
12	A"	1535	1490
13	A"	1129	1096
14	A"	558	542
15	A"	115	112

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	-1.568	0.000
N2	0.701	-0.313	0.000
N3	0.000	0.719	0.000
N4	-0.523	1.750	0.000
H5	0.650	-2.381	0.000
H6	-0.710	-1.651	0.896
H7	-0.710	-1.651	-0.896

	C1	N2	N3	N4	H5	H6	H7
C1		1.4784	2.2892	3.3475	1.0925	1.0985	1.0985
N2	1.4784		1.2476	2.3980	2.0692	2.1408	2.1408
N3	2.2892	1.2476		1.1553	3.1682	2.6316	2.6316
N4	3.3475	2.3980	1.1553		4.2943	3.5217	3.5217
H5	1.0925	2.0692	3.1682	4.2943		1.7847	1.7847
H6	1.0985	2.1408	2.6316	3.5217	1.7847		1.7923
H7	1.0985	2.1408	2.6316	3.5217	1.7847	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.960	N2	C1	H5	106.219
N2	C1	H6	111.506	N2	C1	H7	111.506
N2	N3	N4	172.727	H5	C1	H6	109.092
H5	C1	H7	109.092	H6	C1	H7	109.334

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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