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	hartrees
Energy at 0K	-203.938956
Energy at 298.15K
HF Energy	-203.703677
Nuclear repulsion energy	107.296391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3068	8.18
2	A'	3045	2930	45.72
3	A'	2175	2093	466.74
4	A'	1482	1426	15.23
5	A'	1432	1378	11.17
6	A'	1319	1269	110.66
7	A'	1143	1099	13.19
8	A'	924	889	16.32
9	A'	649	625	10.43
10	A'	240	231	6.66
11	A"	3120	3002	24.81
12	A"	1482	1427	7.69
13	A"	1102	1061	0.59
14	A"	538	517	3.92
15	A"	122	117	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.082	-1.577	0.000
N2	0.683	-0.314	0.000
N3	0.000	0.721	0.000
N4	-0.504	1.759	0.000
H5	0.656	-2.383	0.000
H6	-0.710	-1.662	0.898
H7	-0.710	-1.662	-0.898

	C1	N2	N3	N4	H5	H6	H7
C1		1.4770	2.2997	3.3630	1.0927	1.0993	1.0993
N2	1.4770		1.2402	2.3891	2.0698	2.1369	2.1369
N3	2.2997	1.2402		1.1541	3.1730	2.6440	2.6440
N4	3.3630	2.3891	1.1541		4.3020	3.5433	3.5433
H5	1.0927	2.0698	3.1730	4.3020		1.7866	1.7866
H6	1.0993	2.1369	2.6440	3.5433	1.7866		1.7963
H7	1.0993	2.1369	2.6440	3.5433	1.7866	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	115.355	N2	C1	H5	106.348
N2	C1	H6	111.236	N2	C1	H7	111.236
N2	N3	N4	172.460	H5	C1	H6	109.184
H5	C1	H7	109.184	H6	C1	H7	109.570

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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