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	hartrees
Energy at 0K	-297.502614
Energy at 298.15K	-297.509825
Nuclear repulsion energy	225.835159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3538	3511	43.73
2	A	3086	3063	2.45
3	A	2980	2957	14.15
4	A	1515	1503	39.33
5	A	1467	1456	1.72
6	A	1389	1379	0.20
7	A	1355	1344	24.50
8	A	1291	1281	3.18
9	A	1189	1180	16.99
10	A	1054	1046	0.62
11	A	1022	1014	18.59
12	A	976	968	4.97
13	A	952	945	7.42
14	A	928	921	6.18
15	A	661	656	2.62
16	A	326	324	3.49
17	A	3033	3009	11.03
18	A	1462	1451	8.33
19	A	1040	1032	1.88
20	A	700	695	5.08
21	A	673	668	16.69
22	A	527	523	66.96
23	A	256	254	0.05
24	A	81	80	0.35

Atom	x (Å)	y (Å)	z (Å)
N1	-1.160	-0.053	0.000
C2	0.000	0.608	0.000
C3	0.179	2.096	0.000
H4	0.730	2.437	0.891
H5	0.730	2.437	-0.891
H6	-0.811	2.569	0.000
N7	1.004	-0.317	0.000
N8	0.459	-1.582	0.000
N9	-0.838	-1.401	0.000
H10	2.016	-0.199	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3345	2.5319	3.2508	3.2508	2.6446	2.1803	2.2268	1.3858	3.1788
C2	1.3345		1.4994	2.1624	2.1624	2.1224	1.3654	2.2371	2.1760	2.1709
C3	2.5319	1.4994		1.1021	1.1021	1.0974	2.5508	3.6887	3.6417	2.9393
H4	3.2508	2.1624	1.1021		1.7825	1.7855	2.9083	4.1259	4.2408	3.0652
H5	3.2508	2.1624	1.1021	1.7825		1.7855	2.9083	4.1259	4.2408	3.0652
H6	2.6446	2.1224	1.0974	1.7855	1.7855		3.4098	4.3408	3.9696	3.9561
N7	2.1803	1.3654	2.5508	2.9083	2.9083	3.4098		1.3772	2.1372	1.0181
N8	2.2268	2.2371	3.6887	4.1259	4.1259	4.3408	1.3772		1.3095	2.0824
N9	1.3858	2.1760	3.6417	4.2408	4.2408	3.9696	2.1372	1.3095		3.0964
H10	3.1788	2.1709	2.9393	3.0652	3.0652	3.9561	1.0181	2.0824	3.0964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.516	N1	C2	N7	107.706
N1	N9	N8	111.385	C2	N1	N9	106.225
C2	C3	H4	111.541	C2	C3	H5	111.541
C2	C3	H6	108.652	C2	N7	N8	109.307
C2	N7	H10	130.667	C3	C2	N7	125.778
H4	C3	H5	107.935	H4	C3	H6	108.543
H5	C3	H6	108.543	N7	N8	N9	105.377
N8	N7	H10	120.027

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)

using model chemistry: BLYP/6-31G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.339
2	C	0.513
3	C	-0.348
4	H	0.128
5	H	0.128
6	H	0.151
7	N	-0.353
8	N	-0.056
9	N	-0.091
10	H	0.266

	x	y	z	Total
	4.012	3.910	0.000	5.602
CHELPG
AIM
ESP

<r²>	131.205
(<r²>)^1/2	11.454

All results from a given calculation for C2H4N4 (1H-Tetrazole, 5-methyl-)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)