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	hartrees
Energy at 0K	-297.452491
Energy at 298.15K	-297.460082
HF Energy	-297.452491
Nuclear repulsion energy	232.875710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3347	3170	0.06
2	A	3236	3065	0.08
3	A	3206	3036	3.13
4	A	3121	2956	12.86
5	A	1565	1483	7.69
6	A	1527	1446	12.28
7	A	1506	1426	10.93
8	A	1483	1404	12.35
9	A	1465	1387	2.39
10	A	1374	1301	17.02
11	A	1361	1289	12.07
12	A	1313	1244	16.11
13	A	1188	1125	10.34
14	A	1165	1103	0.01
15	A	1088	1030	28.87
16	A	1073	1016	8.91
17	A	1046	990	5.60
18	A	927	877	10.98
19	A	742	702	4.30
20	A	741	701	16.37
21	A	715	677	7.17
22	A	381	361	5.27
23	A	243	230	5.42
24	A	52	49	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.280	-1.175	0.003
C2	1.393	-0.593	0.001
N3	0.192	-1.113	-0.001
N4	1.371	0.744	0.001
N5	0.158	1.111	-0.001
N6	-0.539	-0.022	-0.003
H7	-2.344	-0.552	-0.889
H8	-2.318	1.001	-0.002
H9	-2.341	-0.544	0.897
C10	-1.985	-0.035	0.001

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0615	2.0893	2.1238	3.1194	3.0463	4.7508	5.0876	4.7488	4.4151
C2	1.0615		1.3085	1.3375	2.1043	2.0146	3.8417	4.0389	3.8396	3.4235
N3	2.0893	1.3085		2.2004	2.2247	1.3135	2.7452	3.2820	2.7466	2.4293
N4	2.1238	1.3375	2.2004		1.2673	2.0587	4.0347	3.6987	4.0303	3.4460
N5	3.1194	2.1043	2.2247	1.2673		1.3309	3.1335	2.4792	3.1292	2.4310
N6	3.0463	2.0146	1.3135	2.0587	1.3309		2.0795	2.0522	2.0801	1.4459
H7	4.7508	3.8417	2.7452	4.0347	3.1335	2.0795		1.7884	1.7860	1.0900
H8	5.0876	4.0389	3.2820	3.6987	2.4792	2.0522	1.7884		1.7880	1.0887
H9	4.7488	3.8396	2.7466	4.0303	3.1292	2.0801	1.7860	1.7880		1.0900
C10	4.4151	3.4235	2.4293	3.4460	2.4310	1.4459	1.0900	1.0887	1.0900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.316	H1	C2	N4	124.168
C2	N3	N6	100.405	C2	N4	N5	107.740
N3	C2	N4	112.516	N3	N6	N5	114.553
N3	N6	C10	123.299	N4	N5	N6	104.787
N5	N6	C10	122.147	N6	C10	H7	109.374
N6	C10	H8	107.293	N6	C10	H9	109.428
H7	C10	H8	110.352	H7	C10	H9	110.031
H8	C10	H9	110.312

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	H	0.209
2	C	0.192
3	N	-0.283
4	N	-0.304
5	N	-0.046
6	N	-0.082
7	H	0.215
8	H	0.222
9	H	0.214
10	C	-0.336

	x	y	z	Total
	-2.528	-1.451	0.001	2.915
CHELPG
AIM
ESP

	x	y	z
x	8.281	-0.135	-0.000
y	-0.135	6.330	-0.000
z	-0.000	-0.000	3.691

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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