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	hartrees
Energy at 0K	-296.000704
Energy at 298.15K	-296.008140
Nuclear repulsion energy	232.014136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3164	3.18
2	A	3110	3060	0.66
3	A	3078	3029	1.83
4	A	2996	2948	14.31
5	A	1519	1495	22.69
6	A	1460	1437	6.82
7	A	1413	1390	5.32
8	A	1412	1389	12.96
9	A	1374	1352	1.07
10	A	1323	1302	6.90
11	A	1248	1228	3.74
12	A	1181	1162	9.45
13	A	1108	1091	20.65
14	A	1101	1084	0.46
15	A	1088	1071	9.99
16	A	1010	994	8.38
17	A	983	967	14.37
18	A	816	803	10.73
19	A	735	723	1.48
20	A	710	699	5.84
21	A	669	659	6.51
22	A	348	343	2.86
23	A	233	230	0.01
24	A	56	55	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	1.068	-0.000
N2	-0.569	0.033	-0.000
N3	0.155	-1.094	-0.000
N4	1.394	-0.733	0.000
N5	1.510	0.606	0.000
H6	-0.025	2.112	-0.000
C7	-1.997	-0.013	0.000
H8	-2.407	0.474	-0.898
H9	-2.283	-1.075	-0.000
H10	-2.406	0.474	0.899

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3383	2.1655	2.1183	1.3148	1.0877	2.5198	2.8936	3.3403	2.8937
N2	1.3383		1.3392	2.1072	2.1565	2.1493	1.4284	2.0924	2.0409	2.0924
N3	2.1655	1.3392		1.2906	2.1737	3.2112	2.4074	3.1346	2.4379	3.1346
N4	2.1183	2.1072	1.2906		1.3439	3.1798	3.4661	4.0876	3.6928	4.0875
N5	1.3148	2.1565	2.1737	1.3439		2.1510	3.5609	4.0204	4.1487	4.0204
H6	1.0877	2.1493	3.2112	3.1798	2.1510		2.8992	3.0267	3.9059	3.0269
C7	2.5198	1.4284	2.4074	3.4661	3.5609	2.8992		1.1014	1.0994	1.1014
H8	2.8936	2.0924	3.1346	4.0876	4.0204	3.0267	1.1014		1.7950	1.7971
H9	3.3403	2.0409	2.4379	3.6928	4.1487	3.9059	1.0994	1.7950		1.7950
H10	2.8937	2.0924	3.1346	4.0875	4.0204	3.0269	1.1014	1.7971	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.952	C1	N2	C7	131.195
C1	N5	N4	105.636	N2	C1	N5	108.742
N2	C1	H6	124.412	N2	N3	N4	106.490
N2	C7	H8	110.947	N2	C7	H9	106.963
N2	C7	H10	110.947	N3	N2	C7	120.853
N3	N4	N5	111.181	N5	C1	H6	126.845
H8	C7	H9	109.297	H8	C7	H10	109.339
H9	C7	H10	109.297

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.035
2	N	0.111
3	N	-0.120
4	N	-0.095
5	N	-0.180
6	H	0.190
7	C	-0.469
8	H	0.193
9	H	0.213
10	H	0.193

	x	y	z	Total
	-5.168	2.372	0.000	5.687
CHELPG
AIM
ESP

	x	y	z
x	8.461	-0.156	0.000
y	-0.156	7.097	0.000
z	0.000	0.000	4.189

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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