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	hartrees
Energy at 0K	-203.972637
Energy at 298.15K	-203.977251
HF Energy	-203.721845
Nuclear repulsion energy	107.844997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3190	12.92
2	A'	3051	3051	49.87
3	A'	2199	2199	415.60
4	A'	1528	1528	16.65
5	A'	1480	1480	13.72
6	A'	1338	1338	99.12
7	A'	1167	1167	11.27
8	A'	929	929	17.82
9	A'	662	662	11.24
10	A'	244	244	7.44
11	A"	3116	3116	35.93
12	A"	1529	1529	8.65
13	A"	1131	1131	0.28
14	A"	555	555	9.26
15	A"	122	122	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	-1.573	0.000
N2	0.676	-0.310	0.000
N3	0.000	0.721	0.000
N4	-0.501	1.752	0.000
H5	0.655	-2.373	0.000
H6	-0.705	-1.665	0.891
H7	-0.705	-1.665	-0.891

	C1	N2	N3	N4	H5	H6	H7
C1		1.4716	2.2947	3.3511	1.0859	1.0928	1.0928
N2	1.4716		1.2322	2.3736	2.0631	2.1301	2.1301
N3	2.2947	1.2322		1.1463	3.1619	2.6421	2.6421
N4	3.3511	2.3736	1.1463		4.2834	3.5367	3.5367
H5	1.0859	2.0631	3.1619	4.2834		1.7735	1.7735
H6	1.0928	2.1301	2.6421	3.5367	1.7735		1.7826
H7	1.0928	2.1301	2.6421	3.5367	1.7735	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.854	N2	C1	H5	106.575
N2	C1	H6	111.471	N2	C1	H7	111.471
N2	N3	N4	172.625	H5	C1	H6	108.973
H5	C1	H7	108.973	H6	C1	H7	109.288

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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