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	hartrees
Energy at 0K	-203.827353
Energy at 298.15K	-203.832021
HF Energy	-202.941226
Nuclear repulsion energy	108.450124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3166	3033
2	A'	3048	2920
3	A'	2209	2116
4	A'	1516	1453
5	A'	1456	1394
6	A'	1325	1269
7	A'	1154	1105
8	A'	946	906
9	A'	680	651
10	A'	246	235
11	A"	3100	2970
12	A"	1517	1454
13	A"	1115	1068
14	A"	591	566
15	A"	129	123

Atom	x (Å)	y (Å)	z (Å)
C1	-0.065	-1.549	0.000
N2	0.704	-0.297	0.000
N3	0.000	0.715	0.000
N4	-0.545	1.713	0.000
H5	0.656	-2.357	0.000
H6	-0.689	-1.633	0.888
H7	-0.689	-1.633	-0.888

	C1	N2	N3	N4	H5	H6	H7
C1		1.4697	2.2652	3.2975	1.0829	1.0893	1.0893
N2	1.4697		1.2324	2.3662	2.0614	2.1252	2.1252
N3	2.2652	1.2324		1.1372	3.1417	2.6034	2.6034
N4	3.2975	2.3662	1.1372		4.2440	3.4650	3.4650
H5	1.0829	2.0614	3.1417	4.2440		1.7676	1.7676
H6	1.0893	2.1252	2.6034	3.4650	1.7676		1.7769
H7	1.0893	2.1252	2.6034	3.4650	1.7676	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.637	N2	C1	H5	106.739
N2	C1	H6	111.435	N2	C1	H7	111.435
N2	N3	N4	173.820	H5	C1	H6	108.924
H5	C1	H7	108.924	H6	C1	H7	109.296

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

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

States and conformations

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