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	hartrees
Energy at 0K	-203.416610
Energy at 298.15K	-203.421314
HF Energy	-202.865873
Nuclear repulsion energy	108.646912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3041	11.48
2	A'	3147	2914	40.23
3	A'	2378	2201	576.07
4	A'	1586	1468	15.20
5	A'	1541	1427	11.63
6	A'	1385	1283	180.55
7	A'	1216	1126	11.39
8	A'	993	919	20.65
9	A'	705	653	7.18
10	A'	259	240	5.96
11	A"	3217	2978	32.11
12	A"	1587	1469	6.69
13	A"	1173	1086	0.76
14	A"	623	576	15.96
15	A"	116	107	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.062	-1.545	0.000
N2	0.707	-0.294	0.000
N3	0.000	0.719	0.000
N4	-0.552	1.703	0.000
H5	0.666	-2.349	0.000
H6	-0.687	-1.635	0.889
H7	-0.687	-1.635	-0.889

	C1	N2	N3	N4	H5	H6	H7
C1		1.4684	2.2649	3.2846	1.0842	1.0907	1.0907
N2	1.4684		1.2351	2.3605	2.0551	2.1287	2.1287
N3	2.2649	1.2351		1.1281	3.1391	2.6082	2.6082
N4	3.2846	2.3605	1.1281		4.2306	3.4565	3.4565
H5	1.0842	2.0551	3.1391	4.2306		1.7695	1.7695
H6	1.0907	2.1287	2.6082	3.4565	1.7695		1.7780
H7	1.0907	2.1287	2.6082	3.4565	1.7695	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	113.530	N2	C1	H5	106.268
N2	C1	H6	111.730	N2	C1	H7	111.730
N2	N3	N4	174.404	H5	C1	H6	108.903
H5	C1	H7	108.903	H6	C1	H7	109.201

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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