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	hartrees
Energy at 0K	-203.785765
Energy at 298.15K	-203.790381
HF Energy	-202.942053
Nuclear repulsion energy	107.905734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3158	3053
2	A'	3025	2925
3	A'	2146	2075
4	A'	1506	1456
5	A'	1449	1401
6	A'	1295	1252
7	A'	1150	1112
8	A'	928	897
9	A'	659	637
10	A'	241	233
11	A"	3093	2990
12	A"	1509	1459
13	A"	1112	1075
14	A"	562	543
15	A"	122	118

Atom	x (Å)	y (Å)	z (Å)
C1	-0.073	-1.558	0.000
N2	0.706	-0.302	0.000
N3	0.000	0.717	0.000
N4	-0.536	1.726	0.000
H5	0.649	-2.370	0.000
H6	-0.700	-1.634	0.893
H7	-0.700	-1.634	-0.893

	C1	N2	N3	N4	H5	H6	H7
C1		1.4786	2.2759	3.3161	1.0871	1.0935	1.0935
N2	1.4786		1.2396	2.3781	2.0695	2.1330	2.1330
N3	2.2759	1.2396		1.1426	3.1546	2.6102	2.6102
N4	3.3161	2.3781	1.1426		4.2641	3.4802	3.4802
H5	1.0871	2.0695	3.1546	4.2641		1.7772	1.7772
H6	1.0935	2.1330	2.6102	3.4802	1.7772		1.7866
H7	1.0935	2.1330	2.6102	3.4802	1.7772	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.418	N2	C1	H5	106.530
N2	C1	H6	111.164	N2	C1	H7	111.164
N2	N3	N4	173.248	H5	C1	H6	109.176
H5	C1	H7	109.176	H6	C1	H7	109.552

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

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

States and conformations

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