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	hartrees
Energy at 0K	-200.553368
Energy at 298.15K	-200.557738
HF Energy	-200.238739
Nuclear repulsion energy	102.001268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3152	0.51
2	A'	3338	2967	5.51
3	A'	2880	2560	12.11
4	A'	1704	1515	6.86
5	A'	1589	1412	25.27
6	A'	1222	1086	12.47
7	A'	1158	1029	47.20
8	A'	912	810	2.89
9	A'	661	587	0.24
10	A'	218	193	5.09
11	A"	3505	3116	3.86
12	A"	1698	1509	3.09
13	A"	1166	1036	1.54
14	A"	416	370	3.00
15	A"	194	173	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.202	-1.601	0.000
N2	0.768	-0.407	0.000
N3	0.000	0.727	0.000
N4	-0.416	1.873	0.000
H5	0.441	-2.500	0.000
H6	-0.847	-1.623	0.903
H7	-0.847	-1.623	-0.903

	C1	N2	N3	N4	H5	H6	H7
C1		1.5386	2.3368	3.4803	1.1056	1.1099	1.1099
N2	1.5386		1.3699	2.5690	2.1183	2.2142	2.2142
N3	2.3368	1.3699		1.2188	3.2571	2.6562	2.6562
N4	3.4803	2.5690	1.2188		4.4559	3.6362	3.6362
H5	1.1056	2.1183	3.2571	4.4559		1.8012	1.8012
H6	1.1099	2.2142	2.6562	3.6362	1.8012		1.8070
H7	1.1099	2.2142	2.6562	3.6362	1.8012	1.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	106.776	N2	C1	H5	105.294
N2	C1	H6	112.429	N2	C1	H7	112.429
N2	N3	N4	165.831	H5	C1	H6	108.775
H5	C1	H7	108.775	H6	C1	H7	108.976

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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