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	hartrees
Energy at 0K	-203.612281
Energy at 298.15K	-203.616850
HF Energy	-202.890118
Nuclear repulsion energy	106.739792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3084
2	A'	3015	2948
3	A'	2116	2069
4	A'	1477	1444
5	A'	1422	1390
6	A'	1275	1247
7	A'	1135	1110
8	A'	920	900
9	A'	635	621
10	A'	235	229
11	A"	3089	3021
12	A"	1478	1445
13	A"	1093	1069
14	A"	517	506
15	A"	131	128

Atom	x (Å)	y (Å)	z (Å)
C1	-0.086	-1.570	0.000
N2	0.713	-0.314	0.000
N3	0.000	0.719	0.000
N4	-0.525	1.752	0.000
H5	0.640	-2.397	0.000
H6	-0.719	-1.642	0.904
H7	-0.719	-1.642	-0.904

	C1	N2	N3	N4	H5	H6	H7
C1		1.4888	2.2916	3.3516	1.0996	1.1060	1.1060
N2	1.4888		1.2554	2.4085	2.0838	2.1521	2.1521
N3	2.2916	1.2554		1.1585	3.1810	2.6292	2.6292
N4	3.3516	2.4085	1.1585		4.3091	3.5183	3.5183
H5	1.0996	2.0838	3.1810	4.3091		1.7979	1.7979
H6	1.1060	2.1521	2.6292	3.5183	1.7979		1.8081
H7	1.1060	2.1521	2.6292	3.5183	1.7979	1.8081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.972	N2	C1	H5	106.258
N2	C1	H6	111.216	N2	C1	H7	111.216
N2	N3	N4	172.354	H5	C1	H6	109.206
H5	C1	H7	109.206	H6	C1	H7	109.653

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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: QCISD(T)/aug-cc-pVDZ

States and conformations

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