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	hartrees
Energy at 0K	-203.776330
Energy at 298.15K	-203.770906
HF Energy	-202.867871
Nuclear repulsion energy	109.736357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3145	20.58
2	A'	3199	3014	51.29
3	A'	2475	2332	750.57
4	A'	1641	1546	15.14
5	A'	1603	1510	14.23
6	A'	1389	1309	307.20
7	A'	1269	1196	11.06
8	A'	1016	958	29.17
9	A'	737	695	8.26
10	A'	275	259	5.07
11	A"	3257	3069	51.96
12	A"	1644	1549	5.17
13	A"	1223	1153	2.00
14	A"	669	630	23.70
15	A"	114	108	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	-1.579	0.000
N2	0.682	-0.318	0.000
N3	0.000	0.720	0.000
N4	-0.507	1.767	0.000
H5	0.661	-2.376	0.000
H6	-0.705	-1.668	0.893
H7	-0.705	-1.668	-0.893

	C1	N2	N3	N4	H5	H6	H7
C1		1.4729	2.3004	3.3727	1.0880	1.0942	1.0942
N2	1.4729		1.2425	2.4003	2.0581	2.1315	2.1315
N3	2.3004	1.2425		1.1629	3.1662	2.6452	2.6452
N4	3.3727	2.4003	1.1629		4.3044	3.5541	3.5541
H5	1.0880	2.0581	3.1662	4.3044		1.7792	1.7792
H6	1.0942	2.1315	2.6452	3.5541	1.7792		1.7866
H7	1.0942	2.1315	2.6452	3.5541	1.7792	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.509	N2	C1	H5	105.857
N2	C1	H6	111.815	N2	C1	H7	111.815
N2	N3	N4	176.856	H5	C1	H6	109.075
H5	C1	H7	109.075	H6	C1	H7	109.103

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

using model chemistry: G2

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: G2

States and conformations

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