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	hartrees
Energy at 0K	-203.854214
Energy at 298.15K	-203.858801
HF Energy	-202.944035
Nuclear repulsion energy	108.460777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3042
2	A'	3041	2930
3	A'	2199	2119
4	A'	1515	1460
5	A'	1457	1404
6	A'	1324	1276
7	A'	1157	1115
8	A'	943	909
9	A'	667	642
10	A'	242	233
11	A"	3092	2980
12	A"	1521	1465
13	A"	1127	1086
14	A"	575	554
15	A"	93	89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.067	-1.550	0.000
N2	0.701	-0.298	0.000
N3	0.000	0.715	0.000
N4	-0.539	1.715	0.000
H5	0.656	-2.359	0.000
H6	-0.691	-1.632	0.891
H7	-0.691	-1.632	-0.891

	C1	N2	N3	N4	H5	H6	H7
C1		1.4694	2.2661	3.2998	1.0846	1.0910	1.0910
N2	1.4694		1.2313	2.3645	2.0619	2.1244	2.1244
N3	2.2661	1.2313		1.1369	3.1429	2.6037	2.6037
N4	3.2998	2.3645	1.1369		4.2461	3.4674	3.4674
H5	1.0846	2.0619	3.1429	4.2461		1.7710	1.7710
H6	1.0910	2.1244	2.6037	3.4674	1.7710		1.7823
H7	1.0910	2.1244	2.6037	3.4674	1.7710	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.788	N2	C1	H5	106.694
N2	C1	H6	111.275	N2	C1	H7	111.275
N2	N3	N4	173.630	H5	C1	H6	108.984
H5	C1	H7	108.984	H6	C1	H7	109.542

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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