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	hartrees
Energy at 0K	-296.056398
Energy at 298.15K	-296.063809
Nuclear repulsion energy	232.073849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3160	3.93
2	A	3095	3057	0.09
3	A	3070	3032	1.87
4	A	2988	2952	12.31
5	A	1509	1491	24.16
6	A	1460	1442	10.55
7	A	1414	1396	8.23
8	A	1408	1391	12.85
9	A	1378	1361	4.56
10	A	1320	1303	6.41
11	A	1228	1213	3.00
12	A	1176	1162	9.01
13	A	1103	1089	26.52
14	A	1098	1084	1.37
15	A	1067	1054	8.93
16	A	1012	999	2.56
17	A	978	966	12.82
18	A	818	808	15.45
19	A	733	724	0.97
20	A	707	699	5.54
21	A	668	659	8.40
22	A	350	345	2.31
23	A	234	231	0.02
24	A	41	41	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	1.068	-0.003
N2	-0.568	0.030	-0.015
N3	0.158	-1.095	-0.006
N4	1.394	-0.733	0.006
N5	1.507	0.607	0.008
H6	-0.024	2.112	-0.009
C7	-1.998	-0.014	0.010
H8	-2.405	0.881	-0.480
H9	-2.321	-0.910	-0.538
H10	-2.371	-0.070	1.044

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3394	2.1659	2.1175	1.3117	1.0874	2.5213	2.7323	3.3104	3.0681
N2	1.3394		1.3383	2.1047	2.1537	2.1520	1.4313	2.0775	2.0572	2.0932
N3	2.1659	1.3383		1.2883	2.1720	3.2120	2.4113	3.2702	2.5420	2.9230
N4	2.1175	2.1047	1.2883		1.3443	3.1784	3.4672	4.1558	3.7590	3.9608
N5	1.3117	2.1537	2.1720	1.3443		2.1470	3.5599	3.9518	4.1541	4.0706
H6	1.0874	2.1520	3.2120	3.1784	2.1470		2.9018	2.7215	3.8329	3.3734
C7	2.5213	1.4313	2.4113	3.4672	3.5599	2.9018		1.0986	1.0981	1.1007
H8	2.7323	2.0775	3.2702	4.1558	3.9518	2.7215	1.0986		1.7939	1.7967
H9	3.3104	2.0572	2.5420	3.7590	4.1541	3.8329	1.0981	1.7939		1.7910
H10	3.0681	2.0932	2.9230	3.9608	4.0706	3.3734	1.1007	1.7967	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.966	C1	N2	C7	130.970
C1	N5	N4	105.731	N2	C1	N5	108.651
N2	C1	H6	124.608	N2	N3	N4	106.491
N2	C7	H8	109.703	N2	C7	H9	108.117
N2	C7	H10	110.850	N3	N2	C7	121.027
N3	N4	N5	111.161	N5	C1	H6	126.740
H8	C7	H9	109.495	H8	C7	H10	109.563
H9	C7	H10	109.084

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

using model chemistry: LSDA/6-311G**

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	0.202
2	N	-0.295
3	N	-0.036
4	N	-0.091
5	N	-0.231
6	H	0.165
7	C	-0.269
8	H	0.170
9	H	0.192
10	H	0.193

	x	y	z	Total
	-5.400	2.482	-0.010	5.944
CHELPG
AIM
ESP

	x	y	z
x	8.463	-0.043	-0.035
y	-0.043	7.212	-0.006
z	-0.035	-0.006	4.191

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G**

States and conformations

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