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	hartrees
Energy at 0K	-203.536473
Energy at 298.15K	-203.541120
HF Energy	-202.884146
Nuclear repulsion energy	108.162448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3031	10.11
2	A'	3075	2892	43.14
3	A'	2373	2231	523.01
4	A'	1502	1413	17.28
5	A'	1463	1376	9.83
6	A'	1362	1281	142.79
7	A'	1166	1096	12.22
8	A'	980	921	16.99
9	A'	691	650	4.52
10	A'	253	238	4.80
11	A"	3149	2961	33.72
12	A"	1503	1413	6.24
13	A"	1114	1048	0.96
14	A"	589	554	13.21
15	A"	105	98	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.063	-1.542	0.000
N2	0.722	-0.293	0.000
N3	0.000	0.717	0.000
N4	-0.563	1.701	0.000
H5	0.661	-2.366	0.000
H6	-0.698	-1.631	0.899
H7	-0.698	-1.631	-0.899

	C1	N2	N3	N4	H5	H6	H7
C1		1.4752	2.2605	3.2819	1.0968	1.1042	1.1042
N2	1.4752		1.2414	2.3719	2.0746	2.1482	2.1482
N3	2.2605	1.2414		1.1335	3.1539	2.6098	2.6098
N4	3.2819	2.3719	1.1335		4.2478	3.4543	3.4543
H5	1.0968	2.0746	3.1539	4.2478		1.7875	1.7875
H6	1.1042	2.1482	2.6098	3.4543	1.7875		1.7972
H7	1.1042	2.1482	2.6098	3.4543	1.7875	1.7972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.348	N2	C1	H5	106.602
N2	C1	H6	111.978	N2	C1	H7	111.978
N2	N3	N4	174.226	H5	C1	H6	108.612
H5	C1	H7	108.612	H6	C1	H7	108.934

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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