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	hartrees
Energy at 0K	-202.154259
Energy at 298.15K	-202.158832
HF Energy	-201.679744
Nuclear repulsion energy	104.508921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3064	8.45
2	A'	3083	2943	31.04
3	A'	2303	2198	109.10
4	A'	1599	1527	13.81
5	A'	1505	1437	18.79
6	A'	1175	1121	76.40
7	A'	1130	1078	42.10
8	A'	781	745	5.64
9	A'	658	628	10.14
10	A'	226	216	10.69
11	A"	3152	3009	26.94
12	A"	1593	1520	6.77
13	A"	1134	1083	0.01
14	A"	482	460	4.54
15	A"	178	170	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.155	-1.631	0.000
N2	0.677	-0.356	0.000
N3	0.000	0.740	0.000
N4	-0.403	1.848	0.000
H5	0.575	-2.439	0.000
H6	-0.780	-1.702	0.896
H7	-0.780	-1.702	-0.896

	C1	N2	N3	N4	H5	H6	H7
C1		1.5232	2.3769	3.4887	1.0892	1.0945	1.0945
N2	1.5232		1.2882	2.4545	2.0861	2.1769	2.1769
N3	2.3769	1.2882		1.1792	3.2312	2.7160	2.7160
N4	3.4887	2.4545	1.1792		4.3979	3.6812	3.6812
H5	1.0892	2.0861	3.2312	4.3979		1.7842	1.7842
H6	1.0945	2.1769	2.7160	3.6812	1.7842		1.7912
H7	1.0945	2.1769	2.7160	3.6812	1.7842	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.184	N2	C1	H5	104.756
N2	C1	H6	111.476	N2	C1	H7	111.476
N2	N3	N4	168.291	H5	C1	H6	109.587
H5	C1	H7	109.587	H6	C1	H7	109.831

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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