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	hartrees
Energy at 0K	-297.506927
Energy at 298.15K	-297.514567
Nuclear repulsion energy	232.861731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3329	3167	0.21
2	A	3227	3070	0.31
3	A	3194	3039	4.55
4	A	3107	2956	16.59
5	A	1543	1468	5.40
6	A	1510	1436	14.11
7	A	1493	1421	11.82
8	A	1464	1393	7.36
9	A	1455	1384	4.57
10	A	1353	1288	20.96
11	A	1348	1283	8.21
12	A	1296	1233	12.10
13	A	1186	1129	10.58
14	A	1156	1100	0.13
15	A	1076	1024	29.82
16	A	1061	1009	9.60
17	A	1040	989	4.86
18	A	903	859	10.81
19	A	737	701	13.63
20	A	734	698	4.84
21	A	704	670	6.73
22	A	378	359	5.38
23	A	238	227	5.47
24	A	90	86	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.302	-1.195	-0.000
C2	1.406	-0.596	0.000
N3	0.186	-1.113	0.000
N4	1.402	0.751	-0.000
N5	0.146	1.104	0.000
N6	-0.551	-0.017	-0.000
H7	-2.356	-0.551	-0.889
H8	-2.330	1.001	-0.003
H9	-2.356	-0.545	0.892
C10	-1.995	-0.034	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0778	2.1177	2.1440	3.1518	3.0866	4.7854	5.1256	4.7869	4.4508
C2	1.0778		1.3250	1.3471	2.1161	2.0408	3.8657	4.0624	3.8666	3.4468
N3	2.1177	1.3250		2.2257	2.2174	1.3204	2.7508	3.2854	2.7530	2.4329
N4	2.1440	1.3471	2.2257		1.3048	2.0990	4.0754	3.7402	4.0744	3.4866
N5	3.1518	2.1161	2.2174	1.3048		1.3204	3.1290	2.4779	3.1268	2.4247
N6	3.0866	2.0408	1.3204	2.0990	1.3204		2.0814	2.0491	2.0816	1.4438
H7	4.7854	3.8657	2.7508	4.0754	3.1290	2.0814		1.7868	1.7813	1.0899
H8	5.1256	4.0624	3.2854	3.7402	2.4779	2.0491	1.7868		1.7867	1.0875
H9	4.7869	3.8666	2.7530	4.0744	3.1268	2.0816	1.7813	1.7867		1.0899
C10	4.4508	3.4468	2.4329	3.4866	2.4247	1.4438	1.0899	1.0875	1.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.276	H1	C2	N4	123.923
C2	N3	N6	100.965	C2	N4	N5	105.857
N3	C2	N4	112.801	N3	N6	N5	114.205
N3	N6	C10	123.253	N4	N5	N6	106.171
N5	N6	C10	122.541	N6	C10	H7	109.679
N6	C10	H8	107.262	N6	C10	H9	109.691
H7	C10	H8	110.291	H7	C10	H9	109.602
H8	C10	H9	110.283

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

using model chemistry: mPW1PW91/6-31G**

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	0.169
2	C	0.247
3	N	-0.290
4	N	-0.310
5	N	-0.048
6	N	-0.083
7	H	0.182
8	H	0.187
9	H	0.182
10	C	-0.234

	x	y	z	Total
	-2.491	-1.465	-0.000	2.890
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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