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	hartrees
Energy at 0K	-293.649648
Energy at 298.15K	-293.656265
Nuclear repulsion energy	217.125300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3387	3134	16.98
2	A	3386	3133	1.84
3	A	3359	3107	0.17
4	A	3200	2960	0.06
5	A	1587	1469	9.48
6	A	1570	1453	8.83
7	A	1482	1371	4.72
8	A	1396	1292	4.36
9	A	1302	1205	16.09
10	A	1236	1143	3.74
11	A	1202	1112	6.17
12	A	1125	1041	0.03
13	A	1073	993	2.25
14	A	1043	965	5.69
15	A	931	862	2.18
16	A	915	846	19.23
17	A	896	829	18.09
18	A	802	742	9.49
19	A	635	587	4.38
20	A	620	574	2.09
21	A	525	486	0.26
22	A	298	276	1.83
23	A	161	149	4.73
24	A	70	65	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.364	-1.292	-0.000
C2	1.458	-0.658	-0.000
N3	0.175	-1.225	0.000
N4	1.532	0.773	0.000
N5	0.190	1.229	0.000
N6	-0.602	-0.007	-0.000
H7	-2.491	-0.542	-0.911
H8	-2.452	1.044	-0.003
H9	-2.491	-0.537	0.914
C10	-2.123	-0.018	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.1063	2.1902	2.2266	3.3288	3.2323	4.9966	5.3530	4.9981	4.6647
C2	1.1063		1.4026	1.4327	2.2728	2.1598	4.0543	4.2643	4.0552	3.6376
N3	2.1902	1.4026		2.4152	2.4538	1.4445	2.8992	3.4713	2.9010	2.5958
N4	2.2266	1.4327	2.4152		1.4169	2.2716	4.3295	3.9934	4.3286	3.7395
N5	3.3288	2.2728	2.4538	1.4169		1.4677	3.3401	2.6491	3.3382	2.6279
N6	3.2323	2.1598	1.4445	2.2716	1.4677		2.1648	2.1281	2.1649	1.5215
H7	4.9966	4.0543	2.8992	4.3295	3.3401	2.1648		1.8279	1.8248	1.1137
H8	5.3530	4.2643	3.4713	3.9934	2.6491	2.1281	1.8279		1.8278	1.1114
H9	4.9981	4.0552	2.9010	4.3286	3.3382	2.1649	1.8248	1.8278		1.1137
C10	4.6647	3.6376	2.5958	3.7395	2.6279	1.5215	1.1137	1.1114	1.1137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	121.162	H1	C2	N4	122.023
C2	N3	N6	98.670	C2	N4	N5	105.798
N3	C2	N4	116.816	N3	N6	N5	114.824
N3	N6	C10	122.112	N4	N5	N6	103.892
N5	N6	C10	123.064	N6	C10	H7	109.501
N6	C10	H8	106.822	N6	C10	H9	109.508
H7	C10	H8	110.466	H7	C10	H9	110.023
H8	C10	H9	110.461

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

using model chemistry: BLYP/STO-3G

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	0.109
2	C	0.031
3	N	-0.126
4	N	-0.140
5	N	-0.045
6	N	-0.052
7	H	0.114
8	H	0.120
9	H	0.114
10	C	-0.125

	x	y	z	Total
	-2.404	-1.147	-0.001	2.663
CHELPG
AIM
ESP

	x	y	z
x	6.453	-0.281	-0.001
y	-0.281	4.254	0.000
z	-0.001	0.000	1.757

<r²>	136.055
(<r²>)^1/2	11.664

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

using model chemistry: BLYP/STO-3G

States and conformations

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