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	hartrees
Energy at 0K	-202.132764
Energy at 298.15K	-202.137301
HF Energy	-201.687929
Nuclear repulsion energy	106.057559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3189	9.77
2	A'	3070	3070	27.24
3	A'	2125	2125	391.03
4	A'	1589	1589	13.67
5	A'	1505	1505	16.26
6	A'	1184	1184	120.98
7	A'	1151	1151	14.13
8	A'	835	835	7.73
9	A'	654	654	7.46
10	A'	248	248	5.26
11	A"	3127	3127	29.79
12	A"	1587	1587	7.46
13	A"	1120	1120	0.06
14	A"	498	498	9.80
15	A"	120	120	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.117	-1.589	0.000
N2	0.723	-0.320	0.000
N3	0.000	0.734	0.000
N4	-0.496	1.766	0.000
H5	0.605	-2.406	0.000
H6	-0.745	-1.659	0.895
H7	-0.745	-1.659	-0.895

	C1	N2	N3	N4	H5	H6	H7
C1		1.5219	2.3261	3.3768	1.0903	1.0959	1.0959
N2	1.5219		1.2779	2.4162	2.0893	2.1789	2.1789
N3	2.3261	1.2779		1.1454	3.1978	2.6610	2.6610
N4	3.3768	2.4162	1.1454		4.3152	3.5487	3.5487
H5	1.0903	2.0893	3.1978	4.3152		1.7842	1.7842
H6	1.0959	2.1789	2.6610	3.5487	1.7842		1.7910
H7	1.0959	2.1789	2.6610	3.5487	1.7842	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	112.071	N2	C1	H5	105.029
N2	C1	H6	111.650	N2	C1	H7	111.650
N2	N3	N4	171.230	H5	C1	H6	109.397
H5	C1	H7	109.397	H6	C1	H7	109.596

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

using model chemistry: MP3=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: MP3=FULL/3-21G

States and conformations

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