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	hartrees
Energy at 0K	-297.244915
Energy at 298.15K	-297.252372
Nuclear repulsion energy	230.090913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3232	3186	0.85
2	A	3134	3089	0.47
3	A	3099	3054	5.34
4	A	3021	2978	16.79
5	A	1485	1464	6.53
6	A	1456	1436	11.34
7	A	1443	1422	10.61
8	A	1413	1393	1.12
9	A	1377	1357	7.77
10	A	1281	1263	12.62
11	A	1259	1241	9.56
12	A	1206	1189	7.37
13	A	1135	1119	10.20
14	A	1119	1103	0.18
15	A	1015	1000	20.18
16	A	995	981	17.22
17	A	984	970	10.16
18	A	843	831	10.87
19	A	704	694	9.65
20	A	700	690	4.47
21	A	668	658	5.01
22	A	362	356	4.76
23	A	225	221	4.98
24	A	90	89	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	2.316	-1.215	0.000
C2	1.414	-0.605	0.000
N3	0.181	-1.132	-0.000
N4	1.423	0.755	-0.000
N5	0.153	1.124	0.000
N6	-0.560	-0.017	-0.000
H7	-2.380	-0.551	-0.897
H8	-2.346	1.016	-0.003
H9	-2.380	-0.546	0.901
C10	-2.013	-0.031	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0882	2.1361	2.1625	3.1861	3.1149	4.8268	5.1675	4.8278	4.4876
C2	1.0882		1.3405	1.3602	2.1409	2.0597	3.8995	4.0944	3.9000	3.4748
N3	2.1361	1.3405		2.2585	2.2562	1.3382	2.7755	3.3159	2.7774	2.4547
N4	2.1625	1.3602	2.2585		1.3231	2.1279	4.1200	3.7778	4.1191	3.5245
N5	3.1861	2.1409	2.2562	1.3231		1.3457	3.1667	2.5007	3.1647	2.4543
N6	3.1149	2.0597	1.3382	2.1279	1.3457		2.0985	2.0631	2.0986	1.4531
H7	4.8268	3.8995	2.7755	4.1200	3.1667	2.0985		1.8042	1.7980	1.1005
H8	5.1675	4.0944	3.3159	3.7778	2.5007	2.0631	1.8042		1.8042	1.0979
H9	4.8278	3.9000	2.7774	4.1191	3.1647	2.0986	1.7980	1.8042		1.1005
C10	4.4876	3.4748	2.4547	3.5245	2.4543	1.4531	1.1005	1.0979	1.1005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	122.827	H1	C2	N4	123.686
C2	N3	N6	100.510	C2	N4	N5	105.845
N3	C2	N4	113.487	N3	N6	N5	114.413
N3	N6	C10	123.095	N4	N5	N6	105.744
N5	N6	C10	122.492	N6	C10	H7	109.755
N6	C10	H8	107.122	N6	C10	H9	109.764
H7	C10	H8	110.314	H7	C10	H9	109.548
H8	C10	H9	110.306

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

using model chemistry: PBEPBE/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	0.183
2	C	0.180
3	N	-0.263
4	N	-0.276
5	N	-0.057
6	N	-0.040
7	H	0.209
8	H	0.215
9	H	0.209
10	C	-0.360

	x	y	z	Total
	-2.446	-1.417	0.000	2.827
CHELPG
AIM
ESP

	x	y	z
x	8.837	-0.163	-0.001
y	-0.163	6.600	-0.000
z	-0.001	-0.000	3.767

<r²>	125.138
(<r²>)^1/2	11.187

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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