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	hartrees
Energy at 0K	-295.993979
Energy at 298.15K	-296.001385
Nuclear repulsion energy	231.440240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3209	3174	3.84
2	A	3115	3081	1.20
3	A	3084	3050	1.59
4	A	2994	2961	15.86
5	A	1520	1503	26.07
6	A	1455	1439	3.56
7	A	1393	1378	9.74
8	A	1387	1371	14.64
9	A	1357	1342	0.58
10	A	1320	1305	10.19
11	A	1245	1231	4.26
12	A	1172	1159	7.95
13	A	1100	1088	17.46
14	A	1081	1069	12.46
15	A	1081	1069	1.34
16	A	997	986	7.20
17	A	977	967	15.73
18	A	804	795	13.93
19	A	731	723	1.43
20	A	710	702	5.64
21	A	663	655	6.70
22	A	347	343	2.87
23	A	230	228	0.00
24	A	49	49	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.282	1.071	-0.000
N2	0.571	0.033	-0.001
N3	-0.154	-1.095	-0.000
N4	-1.395	-0.736	0.000
N5	-1.515	0.605	0.000
H6	0.020	2.125	-0.001
C7	2.002	-0.012	0.000
H8	2.413	0.475	0.906
H9	2.287	-1.080	-0.002
H10	2.415	0.479	-0.902

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3441	2.1699	2.1219	1.3182	1.0962	2.5280	2.9055	3.3512	2.9056
N2	1.3441		1.3408	2.1107	2.1633	2.1634	1.4314	2.1003	2.0453	2.1010
N3	2.1699	1.3408		1.2915	2.1775	3.2245	2.4126	3.1428	2.4412	3.1457
N4	2.1219	2.1107	1.2915		1.3459	3.1913	3.4728	4.0971	3.6978	4.0998
N5	1.3182	2.1633	2.1775	1.3459		2.1604	3.5707	4.0335	4.1589	4.0349
H6	1.0962	2.1634	3.2245	3.1913	2.1604		2.9144	3.0450	3.9258	3.0428
C7	2.5280	1.4314	2.4126	3.4728	3.5707	2.9144		1.1079	1.1056	1.1080
H8	2.9055	2.1003	3.1428	4.0971	4.0335	3.0450	1.1079		1.8057	1.8089
H9	3.3512	2.0453	2.4412	3.6978	4.1589	3.9258	1.1056	1.8057		1.8054
H10	2.9056	2.1010	3.1457	4.0998	4.0349	3.0428	1.1080	1.8089	1.8054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.839	C1	N2	C7	131.210
C1	N5	N4	105.587	N2	C1	N5	108.692
N2	C1	H6	124.575	N2	N3	N4	106.597
N2	C7	H8	110.964	N2	C7	H9	106.743
N2	C7	H10	111.020	N3	N2	C7	120.950
N3	N4	N5	111.284	N5	C1	H6	126.732
H8	C7	H9	109.323	H8	C7	H10	109.441
H9	C7	H10	109.292

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 1-methyl-)

using model chemistry: LSDA/cc-pVDZ

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	C	0.103
2	N	-0.098
3	N	-0.076
4	N	-0.096
5	N	-0.151
6	H	0.081
7	C	-0.082
8	H	0.105
9	H	0.109
10	H	0.105

	x	y	z	Total
	5.151	2.332	-0.001	5.655
CHELPG
AIM
ESP

	x	y	z
x	8.296	0.126	-0.001
y	0.126	6.994	-0.000
z	-0.001	-0.000	3.923

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H4N4 (1H-Tetrazole, 1-methyl-)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 1-methyl-)