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	hartrees
Energy at 0K	-310.005329
Energy at 298.15K	-310.012904
Nuclear repulsion energy	230.603623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3918	3536	91.60
2	A	3874	3496	129.80
3	A	3797	3427	96.81
4	A	1819	1642	194.71
5	A	1751	1581	304.18
6	A	1544	1394	29.70
7	A	1475	1331	8.92
8	A	1350	1219	5.82
9	A	1187	1071	18.90
10	A	1129	1019	15.19
11	A	1122	1013	0.96
12	A	992	896	11.56
13	A	942	850	34.89
14	A	865	781	116.23
15	A	787	710	4.83
16	A	729	658	0.05
17	A	671	605	291.74
18	A	554	500	260.75
19	A	415	375	2.91
20	A	347	313	11.93
21	A	314	283	56.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.627	-0.048	-0.000
H2	0.029	2.006	0.001
N3	-0.171	1.034	0.000
N4	-1.508	0.576	-0.000
N5	-1.435	-0.692	-0.000
N6	-0.104	-1.139	0.000
H7	2.488	0.831	-0.000
H8	2.460	-0.884	0.001
N9	1.970	-0.017	-0.000

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1395	1.3444	2.2240	2.1605	1.3135	2.0577	2.0143	1.3429
H2	2.1395		0.9931	2.0995	3.0698	3.1480	2.7248	3.7765	2.8033
N3	1.3444	0.9931		1.4125	2.1388	2.1735	2.6667	3.2558	2.3849
N4	2.2240	2.0995	1.4125		1.2697	2.2158	4.0034	4.2274	3.5274
N5	2.1605	3.0698	2.1388	1.2697		1.4040	4.2081	3.8996	3.4711
N6	1.3135	3.1480	2.1735	2.2158	1.4040		3.2557	2.5766	2.3580
H7	2.0577	2.7248	2.6667	4.0034	4.2081	3.2557		1.7156	0.9938
H8	2.0143	3.7765	3.2558	4.2274	3.8996	2.5766	1.7156		0.9961
N9	1.3429	2.8033	2.3849	3.5274	3.4711	2.3580	0.9938	0.9961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	131.914	C1	N3	N4	107.528
C1	N6	N5	105.271	C1	N9	H7	122.737
C1	N9	H8	118.145	H2	N3	N4	120.558
N3	C1	N6	109.722	N3	C1	N9	125.114
N3	N4	N5	105.640	N4	N5	N6	111.839
N6	C1	N9	125.164	H7	N9	H8	119.119

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	C	1.160	1.147
2	H	0.402	0.271
3	N	-0.759	-0.200
4	N	-0.022	-0.263
5	N	-0.058	-0.022
6	N	-0.512	-0.613
7	H	0.362	0.527
8	H	0.387	0.541
9	N	-0.960	-1.387

	x	y	z	Total
	5.796	4.120	0.005	7.111
CHELPG	5.569	3.964	0.005	6.836
AIM
ESP

	x	y	z
x	6.349	0.047	0.000
y	0.047	5.346	-0.000
z	0.000	-0.000	1.659

<r²>	121.129
(<r²>)^1/2	11.006

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

using model chemistry: HF/3-21G*

States and conformations

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