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	hartrees
Energy at 0K	-311.985534
Energy at 298.15K	-311.992850
Nuclear repulsion energy	231.836022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3573	3534	48.43
2	A	3545	3506	74.53
3	A	3466	3428	40.23
4	A	1669	1650	259.83
5	A	1523	1506	13.98
6	A	1475	1459	21.47
7	A	1377	1362	12.14
8	A	1259	1245	15.68
9	A	1175	1162	10.39
10	A	1081	1069	7.66
11	A	1044	1032	11.80
12	A	1034	1023	7.68
13	A	1008	997	14.78
14	A	742	734	13.64
15	A	734	726	0.98
16	A	717	709	3.63
17	A	597	591	271.82
18	A	519	513	53.03
19	A	373	369	4.81
20	A	304	301	5.06
21	A	279	276	49.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.624	-0.036	-0.004
H2	0.013	2.028	-0.054
N3	0.207	1.025	-0.009
N4	1.483	0.573	0.006
N5	1.398	-0.709	0.009
N6	0.119	-1.131	0.011
H7	-2.448	0.736	0.468
H8	-2.393	-0.919	0.067
N9	-1.983	0.009	-0.082

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1610	1.3479	2.1935	2.1305	1.3239	2.0361	1.9791	1.3622
H2	2.1610		1.0225	2.0693	3.0678	3.1623	2.8289	3.8075	2.8401
N3	1.3479	1.0225		1.3542	2.1036	2.1587	2.7130	3.2481	2.4156
N4	2.1935	2.0693	1.3542		1.2847	2.1831	3.9617	4.1546	3.5131
N5	2.1305	3.0678	2.1036	1.2847		1.3463	4.1335	3.7973	3.4572
N6	1.3239	3.1623	2.1587	2.1831	1.3463		3.2073	2.5224	2.3935
H7	2.0361	2.8289	2.7130	3.9617	4.1335	3.2073		1.7039	1.0236
H8	1.9791	3.8075	3.2481	4.1546	3.7973	2.5224	1.7039		1.0256
N9	1.3622	2.8401	2.4156	3.5131	3.4572	2.3935	1.0236	1.0256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	130.990	C1	N3	N4	108.537
C1	N6	N5	105.853	C1	N9	H7	116.451
C1	N9	H8	111.174	H2	N3	N4	120.431
N3	C1	N6	107.792	N3	C1	N9	126.087
N3	N4	N5	105.688	N4	N5	N6	112.126
N6	C1	N9	126.009	H7	N9	H8	112.500

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

using model chemistry: LSDA/cc-pVDZ

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	0.164
2	H	0.140
3	N	-0.081
4	N	-0.082
5	N	-0.100
6	N	-0.187
7	H	0.140
8	H	0.152
9	N	-0.146

	x	y	z	Total
	-5.116	3.556	0.904	6.295
CHELPG
AIM
ESP

	x	y	z
x	8.084	0.000	-0.078
y	0.000	6.313	0.060
z	-0.078	0.060	2.929

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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