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	hartrees
Energy at 0K	-297.514830
Energy at 298.15K	-297.522232
Nuclear repulsion energy	228.652221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3201	0.22
2	A	3106	3090	1.10
3	A	3071	3054	6.65
4	A	2999	2983	21.00
5	A	1471	1463	8.02
6	A	1446	1438	11.57
7	A	1416	1409	4.58
8	A	1408	1401	6.19
9	A	1331	1324	14.79
10	A	1258	1251	9.52
11	A	1226	1220	8.38
12	A	1160	1154	7.22
13	A	1113	1107	10.96
14	A	1113	1107	0.61
15	A	990	985	14.49
16	A	984	979	11.84
17	A	947	942	20.22
18	A	844	839	13.95
19	A	687	683	6.16
20	A	678	675	9.32
21	A	652	648	4.15
22	A	358	356	5.36
23	A	217	216	5.21
24	A	87	86	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	2.327	-1.217	-0.000
C2	1.427	-0.610	-0.000
N3	0.188	-1.134	0.000
N4	1.433	0.757	-0.000
N5	0.155	1.131	0.001
N6	-0.566	-0.017	-0.000
H7	-2.395	-0.555	-0.897
H8	-2.368	1.011	-0.003
H9	-2.395	-0.549	0.900
C10	-2.033	-0.033	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0858	2.1408	2.1670	3.1989	3.1322	4.8517	5.1968	4.8533	4.5178
C2	1.0858		1.3454	1.3668	2.1563	2.0793	3.9260	4.1265	3.9269	3.5075
N3	2.1408	1.3454		2.2643	2.2657	1.3479	2.7950	3.3366	2.7970	2.4787
N4	2.1670	1.3668	2.2643		1.3319	2.1437	4.1446	3.8097	4.1438	3.5549
N5	3.1989	2.1563	2.2657	1.3319		1.3557	3.1858	2.5259	3.1835	2.4784
N6	3.1322	2.0793	1.3479	2.1437	1.3557		2.1068	2.0744	2.1069	1.4669
H7	4.8517	3.9260	2.7950	4.1446	3.1858	2.1068		1.8028	1.7977	1.0991
H8	5.1968	4.1265	3.3366	3.8097	2.5259	2.0744	1.8028		1.8027	1.0963
H9	4.8533	3.9269	2.7970	4.1438	3.1835	2.1069	1.7977	1.8027		1.0991
C10	4.5178	3.5075	2.4787	3.5549	2.4784	1.4669	1.0991	1.0963	1.0991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.066	H1	C2	N4	123.737
C2	N3	N6	101.073	C2	N4	N5	106.060
N3	C2	N4	113.198	N3	N6	N5	113.864
N3	N6	C10	123.371	N4	N5	N6	105.805
N5	N6	C10	122.765	N6	C10	H7	109.545
N6	C10	H8	107.168	N6	C10	H9	109.550
H7	C10	H8	110.407	H7	C10	H9	109.730
H8	C10	H9	110.398

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)

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

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	H	0.142
2	C	-0.005
3	N	-0.185
4	N	-0.265
5	N	0.018
6	N	0.097
7	H	0.175
8	H	0.183
9	H	0.175
10	C	-0.337

	x	y	z	Total
	-2.575	-1.519	-0.001	2.990
CHELPG
AIM
ESP

<r²>	127.430
(<r²>)^1/2	11.288

All results from a given calculation for C2H4N4 (2H-Tetrazole, 2-methyl-)

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

States and conformations

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)