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	hartrees
Energy at 0K	-312.753407
Energy at 298.15K	-312.760755
HF Energy	-311.781032
Nuclear repulsion energy	230.120391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3663	3451	17.87
2	A	3663	3451	124.47
3	A	3558	3352	31.94
4	A	1712	1613	119.36
5	A	1645	1550	115.97
6	A	1531	1442	26.76
7	A	1387	1307	0.68
8	A	1208	1138	6.04
9	A	1180	1111	16.92
10	A	1141	1075	6.67
11	A	1118	1053	16.55
12	A	1077	1015	19.88
13	A	1017	958	0.44
14	A	827	779	237.48
15	A	735	693	3.79
16	A	722	680	8.68
17	A	692	652	85.26
18	A	562	530	78.47
19	A	387	365	15.02
20	A	302	284	1.86
21	A	218	205	60.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.623	-0.044	0.001
H2	-0.004	2.013	-0.076
N3	0.203	1.023	-0.014
N4	1.487	0.598	0.003
N5	1.418	-0.719	0.011
N6	0.122	-1.141	0.018
H7	-2.430	0.592	0.646
H8	-2.399	-0.904	-0.084
N9	-2.004	0.033	-0.088

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1506	1.3501	2.2058	2.1494	1.3257	2.0212	1.9743	1.3861
H2	2.1506		1.0136	2.0567	3.0809	3.1580	2.9037	3.7745	2.8152
N3	1.3501	1.0136		1.3522	2.1235	2.1654	2.7488	3.2384	2.4204
N4	2.2058	2.0567	1.3522		1.3189	2.2105	3.9694	4.1667	3.5378
N5	2.1494	3.0809	2.1235	1.3189		1.3625	4.1142	3.8221	3.5050
N6	1.3257	3.1580	2.1654	2.2105	1.3625		3.1481	2.5341	2.4312
H7	2.0212	2.9037	2.7488	3.9694	4.1142	3.1481		1.6641	1.0160
H8	1.9743	3.7745	3.2384	4.1667	3.8221	2.5341	1.6641		1.0164
N9	1.3861	2.8152	2.4204	3.5378	3.5050	2.4312	1.0160	1.0164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	130.428	C1	N3	N4	109.426
C1	N6	N5	106.170	C1	N9	H7	113.693
C1	N9	H8	109.561	H2	N3	N4	120.078
N3	C1	N6	108.044	N3	C1	N9	124.395
N3	N4	N5	105.304	N4	N5	N6	111.048
N6	C1	N9	127.395	H7	N9	H8	109.928

All results from a given calculation for CH₃N₅ (5-Aminotetrazole)

using model chemistry: MP2=FULL/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 CH3N5 (5-Aminotetrazole)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃N₅ (5-Aminotetrazole)