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	hartrees
Energy at 0K	-202.161263
Energy at 298.15K	-202.165830
HF Energy	-201.679812
Nuclear repulsion energy	104.528338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3043	8.40
2	A'	3084	2923	31.03
3	A'	2303	2184	109.34
4	A'	1599	1516	13.85
5	A'	1506	1428	18.73
6	A'	1175	1114	77.40
7	A'	1131	1072	41.19
8	A'	781	740	5.68
9	A'	659	624	10.14
10	A'	226	214	10.74
11	A"	3152	2988	26.86
12	A"	1593	1510	6.80
13	A"	1135	1076	0.01
14	A"	483	458	4.56
15	A"	178	169	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.155	-1.631	0.000
N2	0.676	-0.356	0.000
N3	0.000	0.740	0.000
N4	-0.403	1.848	0.000
H5	0.576	-2.439	0.000
H6	-0.780	-1.702	0.895
H7	-0.780	-1.702	-0.895

	C1	N2	N3	N4	H5	H6	H7
C1		1.5226	2.3766	3.4884	1.0891	1.0944	1.0944
N2	1.5226		1.2878	2.4541	2.0857	2.1764	2.1764
N3	2.3766	1.2878		1.1790	3.2309	2.7160	2.7160
N4	3.4884	2.4541	1.1790		4.3975	3.6811	3.6811
H5	1.0891	2.0857	3.2309	4.3975		1.7839	1.7839
H6	1.0944	2.1764	2.7160	3.6811	1.7839		1.7909
H7	1.0944	2.1764	2.7160	3.6811	1.7839	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.227	N2	C1	H5	104.774
N2	C1	H6	111.482	N2	C1	H7	111.482
N2	N3	N4	168.308	H5	C1	H6	109.578
H5	C1	H7	109.578	H6	C1	H7	109.820

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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