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	hartrees
Energy at 0K	-313.489030
Energy at 298.15K	-313.496743
HF Energy	-313.633718
Nuclear repulsion energy	231.282661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3670	3541	70.85
2	A	3660	3532	38.19
3	A	3562	3438	32.88
4	A	1665	1607	220.94
5	A	1614	1557	58.53
6	A	1490	1438	23.35
7	A	1400	1351	11.85
8	A	1295	1250	9.83
9	A	1143	1103	8.74
10	A	1104	1065	13.12
11	A	1070	1032	13.45
12	A	1025	989	13.24
13	A	1012	976	13.45
14	A	769	742	38.47
15	A	738	712	2.27
16	A	723	697	4.10
17	A	640	618	245.95
18	A	497	479	69.75
19	A	387	373	5.14
20	A	312	301	4.79
21	A	279	269	42.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.622	-0.043	-0.004
H2	0.002	2.012	-0.057
N3	0.198	1.026	-0.007
N4	1.488	0.578	0.005
N5	1.411	-0.702	0.009
N6	0.120	-1.135	0.010
H7	-2.438	0.729	0.465
H8	-2.408	-0.900	0.076
N9	-1.992	0.008	-0.083

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1487	1.3476	2.1991	2.1373	1.3197	2.0292	1.9832	1.3740
H2	2.1487		1.0064	2.0661	3.0594	3.1501	2.8061	3.7828	2.8279
N3	1.3476	1.0064		1.3656	2.1121	2.1628	2.6949	3.2422	2.4171
N4	2.1991	2.0661	1.3656		1.2825	2.1922	3.9561	4.1678	3.5278
N5	2.1373	3.0594	2.1121	1.2825		1.3623	4.1327	3.8255	3.4784
N6	1.3197	3.1501	2.1628	2.1922	1.3623		3.1979	2.5397	2.4031
H7	2.0292	2.8061	2.6949	3.9561	4.1327	3.1979		1.6758	1.0102
H8	1.9832	3.7828	3.2422	4.1678	3.8255	2.5397	1.6758		1.0110
N9	1.3740	2.8279	2.4171	3.5278	3.4784	2.4031	1.0102	1.0110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	131.168	C1	N3	N4	107.930
C1	N6	N5	105.681	C1	N9	H7	115.921
C1	N9	H8	111.811	H2	N3	N4	120.701
N3	C1	N6	108.339	N3	C1	N9	124.860
N3	N4	N5	106.257	N4	N5	N6	111.789
N6	C1	N9	126.719	H7	N9	H8	112.067

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

using model chemistry: G4

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
1	C	0.488
2	H	0.286
3	N	-0.262
4	N	-0.094
5	N	-0.094
6	N	-0.283
7	H	0.264
8	H	0.280
9	N	-0.584

	x	y	z	Total
	-4.903	3.472	0.905	6.075
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	120.127
(<r²>)^1/2	10.960

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

using model chemistry: G4

States and conformations

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