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	hartrees
Energy at 0K	-203.954004
Energy at 298.15K
HF Energy	-203.692013
Nuclear repulsion energy	107.961377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	7.92
2	A'	3061	3061	38.38
3	A'	2214	2214	392.00
4	A'	1515	1515	13.35
5	A'	1463	1463	13.77
6	A'	1337	1337	101.08
7	A'	1160	1160	11.56
8	A'	932	932	17.79
9	A'	673	673	9.67
10	A'	244	244	7.09
11	A"	3133	3133	22.17
12	A"	1516	1516	5.95
13	A"	1123	1123	0.25
14	A"	579	579	8.31
15	A"	116	116	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.074	-1.569	0.000
N2	0.680	-0.306	0.000
N3	0.000	0.720	0.000
N4	-0.512	1.744	0.000
H5	0.662	-2.369	0.000
H6	-0.700	-1.661	0.891
H7	-0.700	-1.661	-0.891

	C1	N2	N3	N4	H5	H6	H7
C1		1.4709	2.2899	3.3420	1.0867	1.0929	1.0929
N2	1.4709		1.2309	2.3715	2.0630	2.1297	2.1297
N3	2.2899	1.2309		1.1451	3.1588	2.6370	2.6370
N4	3.3420	2.3715	1.1451		4.2772	3.5253	3.5253
H5	1.0867	2.0630	3.1588	4.2772		1.7743	1.7743
H6	1.0929	2.1297	2.6370	3.5253	1.7743		1.7819
H7	1.0929	2.1297	2.6370	3.5253	1.7743	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.611	N2	C1	H5	106.568
N2	C1	H6	111.489	N2	C1	H7	111.489
N2	N3	N4	172.984	H5	C1	H6	108.992
H5	C1	H7	108.992	H6	C1	H7	109.225

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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=FULLultrafine/6-31G(2df,p)

States and conformations

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