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	hartrees
Energy at 0K	-292.154809
Energy at 298.15K	-292.161716
Nuclear repulsion energy	221.826922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3481	3117	34.65
2	A	3471	3108	10.39
3	A	3446	3086	4.59
4	A	3285	2941	1.65
5	A	1590	1424	15.30
6	A	1570	1406	15.51
7	A	1486	1330	0.93
8	A	1443	1292	2.44
9	A	1407	1260	11.78
10	A	1288	1154	3.50
11	A	1262	1131	14.16
12	A	1175	1052	5.27
13	A	1144	1024	0.45
14	A	1109	993	5.23
15	A	986	883	0.08
16	A	977	874	28.08
17	A	950	850	2.82
18	A	841	754	10.64
19	A	687	615	5.11
20	A	660	591	2.93
21	A	581	521	0.50
22	A	313	280	2.58
23	A	193	173	4.82
24	A	85	76	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.342	-1.262	0.000
C2	1.437	-0.638	0.000
N3	0.175	-1.196	-0.000
N4	1.490	0.767	-0.000
N5	0.173	1.196	0.000
N6	-0.589	-0.015	-0.000
H7	-2.443	-0.540	-0.904
H8	-2.392	1.035	-0.003
H9	-2.443	-0.534	0.907
C10	-2.072	-0.022	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0990	2.1677	2.2007	3.2779	3.1851	4.9229	5.2617	4.9244	4.5844
C2	1.0990		1.3799	1.4061	2.2274	2.1197	3.9855	4.1787	3.9864	3.5625
N3	2.1677	1.3799		2.3628	2.3921	1.4071	2.8466	3.4012	2.8490	2.5352
N4	2.2007	1.4061	2.3628		1.3848	2.2207	4.2421	3.8912	4.2411	3.6479
N5	3.2779	2.2274	2.3921	1.3848		1.4303	3.2675	2.5703	3.2654	2.5539
N6	3.1851	2.1197	1.4071	2.2207	1.4303		2.1288	2.0864	2.1290	1.4829
H7	4.9229	3.9855	2.8466	4.2421	3.2675	2.1288		1.8150	1.8108	1.1061
H8	5.2617	4.1787	3.4012	3.8912	2.5703	2.0864	1.8150		1.8149	1.1042
H9	4.9244	3.9864	2.8490	4.2411	3.2654	2.1290	1.8108	1.8149		1.1062
C10	4.5844	3.5625	2.5352	3.6479	2.5539	1.4829	1.1061	1.1042	1.1062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	121.551	H1	C2	N4	122.443
C2	N3	N6	99.027	C2	N4	N5	105.891
N3	C2	N4	116.006	N3	N6	N5	114.928
N3	N6	C10	122.600	N4	N5	N6	104.149
N5	N6	C10	122.473	N6	C10	H7	109.767
N6	C10	H8	106.587	N6	C10	H9	109.778
H7	C10	H8	110.395	H7	C10	H9	109.873
H8	C10	H9	110.387

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

using model chemistry: LSDA/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	0.134
2	C	0.003
3	N	-0.132
4	N	-0.145
5	N	-0.054
6	N	-0.033
7	H	0.137
8	H	0.144
9	H	0.137
10	C	-0.192

	x	y	z	Total
	-2.495	-1.225	0.000	2.780
CHELPG
AIM
ESP

	x	y	z
x	5.931	-0.249	-0.000
y	-0.249	3.977	0.000
z	-0.000	0.000	1.690

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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