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	hartrees
Energy at 0K	-203.734579
Energy at 298.15K	-203.739228
HF Energy	-202.945748
Nuclear repulsion energy	107.948472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3062	5.08
2	A'	3072	2923	40.19
3	A'	2319	2206	375.34
4	A'	1514	1440	14.50
5	A'	1456	1385	12.43
6	A'	1325	1261	114.59
7	A'	1155	1099	9.56
8	A'	933	888	20.09
9	A'	695	661	8.58
10	A'	232	221	8.24
11	A"	3153	3000	19.55
12	A"	1514	1440	7.63
13	A"	1125	1070	0.60
14	A"	570	542	4.77
15	A"	137	131	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.075	-1.562	0.000
N2	0.685	-0.307	0.000
N3	0.000	0.715	0.000
N4	-0.515	1.739	0.000
H5	0.655	-2.363	0.000
H6	-0.699	-1.646	0.890
H7	-0.699	-1.646	-0.890

	C1	N2	N3	N4	H5	H6	H7
C1		1.4679	2.2785	3.3304	1.0830	1.0897	1.0897
N2	1.4679		1.2300	2.3715	2.0566	2.1212	2.1212
N3	2.2785	1.2300		1.1461	3.1466	2.6176	2.6176
N4	3.3304	2.3715	1.1461		4.2652	3.5043	3.5043
H5	1.0830	2.0566	3.1466	4.2652		1.7711	1.7711
H6	1.0897	2.1212	2.6176	3.5043	1.7711		1.7794
H7	1.0897	2.1212	2.6176	3.5043	1.7711	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	114.966	N2	C1	H5	106.480
N2	C1	H6	111.208	N2	C1	H7	111.208
N2	N3	N4	172.845	H5	C1	H6	109.206
H5	C1	H7	109.206	H6	C1	H7	109.458

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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