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	hartrees
Energy at 0K	-310.652921
Energy at 298.15K	-310.659925
HF Energy	-309.983747
Nuclear repulsion energy	223.126491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3660	3482	40.09
2	A	3600	3424	93.60
3	A	3543	3370	45.91
4	A	1740	1655	65.54
5	A	1571	1494	223.31
6	A	1412	1343	23.86
7	A	1328	1263	6.68
8	A	1103	1049	13.75
9	A	1030	980	0.41
10	A	984	936	6.94
11	A	953	907	10.91
12	A	846	805	21.29
13	A	805	766	11.96
14	A	723	688	19.95
15	A	709	674	6.05
16	A	656	624	6.70
17	A	576	548	413.21
18	A	543	516	88.08
19	A	382	364	13.89
20	A	301	286	1.76
21	A	212	202	74.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.638	-0.051	0.000
H2	-0.056	2.043	-0.084
N3	0.174	1.059	-0.010
N4	1.539	0.642	0.002
N5	1.481	-0.753	0.007
N6	0.090	-1.184	0.019
H7	-2.499	0.716	0.487
H8	-2.473	-0.895	-0.102
N9	-2.019	0.012	-0.061

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1754	1.3758	2.2853	2.2323	1.3466	2.0714	2.0221	1.3840
H2	2.1754		1.0135	2.1253	3.1922	3.2320	2.8384	3.8046	2.8251
N3	1.3758	1.0135		1.4276	2.2342	2.2447	2.7410	3.2916	2.4313
N4	2.2853	2.1253	1.4276		1.3963	2.3313	4.0686	4.2980	3.6147
N5	2.2323	3.1922	2.2342	1.3963		1.4562	4.2700	3.9578	3.5835
N6	1.3466	3.2320	2.2447	2.3313	1.4562		3.2457	2.5819	2.4259
H7	2.0714	2.8384	2.7410	4.0686	4.2700	3.2457		1.7163	1.0139
H8	2.0221	3.8046	3.2916	4.2980	3.9578	2.5819	1.7163		1.0149
N9	1.3840	2.8251	2.4313	3.6147	3.5835	2.4259	1.0139	1.0149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	130.538	C1	N3	N4	109.201
C1	N6	N5	105.521	C1	N9	H7	118.695
C1	N9	H8	114.020	H2	N3	N4	120.113
N3	C1	N6	111.075	N3	C1	N9	123.520
N3	N4	N5	104.584	N4	N5	N6	109.611
N6	C1	N9	125.349	H7	N9	H8	115.552

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

using model chemistry: MP2/3-21G*

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 CH3N5 (5-Aminotetrazole)

using model chemistry: MP2/3-21G*

States and conformations

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