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	hartrees
Energy at 0K	-203.538115
Energy at 298.15K	-203.542684
HF Energy	-202.858530
Nuclear repulsion energy	107.027400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3178	3049
2	A'	3046	2922
3	A'	2162	2074
4	A'	1535	1472
5	A'	1482	1422
6	A'	1310	1257
7	A'	1163	1116
8	A'	933	895
9	A'	648	622
10	A'	242	232
11	A"	3117	2990
12	A"	1534	1471
13	A"	1126	1080
14	A"	550	527
15	A"	112	108

Atom	x (Å)	y (Å)	z (Å)
C1	-0.084	-1.572	0.000
N2	0.699	-0.316	0.000
N3	0.000	0.720	0.000
N4	-0.516	1.756	0.000
H5	0.646	-2.386	0.000
H6	-0.714	-1.653	0.897
H7	-0.714	-1.653	-0.897

	C1	N2	N3	N4	H5	H6	H7
C1		1.4802	2.2933	3.3560	1.0929	1.0988	1.0988
N2	1.4802		1.2499	2.4022	2.0706	2.1422	2.1422
N3	2.2933	1.2499		1.1576	3.1721	2.6352	2.6352
N4	3.3560	2.4022	1.1576		4.3017	3.5306	3.5306
H5	1.0929	2.0706	3.1721	4.3017		1.7857	1.7857
H6	1.0988	2.1422	2.6352	3.5306	1.7857		1.7932
H7	1.0988	2.1422	2.6352	3.5306	1.7857	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.021	N2	C1	H5	106.185
N2	C1	H6	111.472	N2	C1	H7	111.472
N2	N3	N4	172.441	H5	C1	H6	109.128
H5	C1	H7	109.128	H6	C1	H7	109.365

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

using model chemistry: QCISD(T)/6-31G*

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)/6-31G*

States and conformations

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