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	hartrees
Energy at 0K	-312.934213
Energy at 298.15K	-312.941621
HF Energy	-311.820962
Nuclear repulsion energy	230.929137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3701	3496	45.54
2	A	3699	3494	106.16
3	A	3595	3396	38.73
4	A	1675	1582	165.68
5	A	1625	1535	67.46
6	A	1516	1432	22.34
7	A	1374	1298	0.59
8	A	1204	1137	8.77
9	A	1178	1112	11.94
10	A	1125	1063	6.76
11	A	1118	1056	14.48
12	A	1071	1012	20.90
13	A	1017	961	0.57
14	A	801	757	152.53
15	A	734	693	4.27
16	A	732	691	4.12
17	A	694	655	128.63
18	A	579	547	63.10
19	A	386	365	10.96
20	A	312	295	1.77
21	A	231	218	48.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.621	-0.044	-0.002
H2	-0.002	2.007	-0.062
N3	0.202	1.021	-0.014
N4	1.480	0.596	0.005
N5	1.412	-0.715	0.012
N6	0.122	-1.139	0.014
H7	-2.417	0.637	0.598
H8	-2.391	-0.903	-0.010
N9	-1.998	0.026	-0.090

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1436	1.3467	2.1963	2.1406	1.3228	2.0128	1.9672	1.3816
H2	2.1436		1.0078	2.0471	3.0683	3.1490	2.8540	3.7654	2.8126
N3	1.3467	1.0078		1.3467	2.1164	2.1617	2.7172	3.2291	2.4162
N4	2.1963	2.0471	1.3467		1.3132	2.2030	3.9422	4.1509	3.5256
N5	2.1406	3.0683	2.1164	1.3132		1.3574	4.1029	3.8072	3.4908
N6	1.3228	3.1490	2.1617	2.2030	1.3574		3.1532	2.5240	2.4211
H7	2.0128	2.8540	2.7172	3.9422	4.1029	3.1532		1.6563	1.0109
H8	1.9672	3.7654	3.2291	4.1509	3.8072	2.5240	1.6563		1.0116
N9	1.3816	2.8126	2.4162	3.5256	3.4908	2.4211	1.0109	1.0116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	130.586	C1	N3	N4	109.267
C1	N6	N5	105.998	C1	N9	H7	113.653
C1	N9	H8	109.597	H2	N3	N4	120.113
N3	C1	N6	108.145	N3	C1	N9	124.650
N3	N4	N5	105.435	N4	N5	N6	111.150
N6	C1	N9	127.059	H7	N9	H8	109.956

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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