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	hartrees
Energy at 0K	-296.930638
Energy at 298.15K	-296.938110
HF Energy	-295.855221
Nuclear repulsion energy	228.508363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3499	88.50
2	A	3211	3041	0.94
3	A	3094	2931	10.69
4	A	1605	1520	41.58
5	A	1542	1460	0.64
6	A	1458	1381	17.61
7	A	1451	1374	12.96
8	A	1367	1295	9.23
9	A	1211	1147	7.56
10	A	1154	1093	1.34
11	A	1130	1070	21.71
12	A	1085	1027	14.68
13	A	1023	969	0.68
14	A	1017	963	0.83
15	A	693	657	3.79
16	A	337	319	4.72
17	A	3173	3005	7.09
18	A	1522	1442	12.76
19	A	1086	1029	1.04
20	A	737	698	25.48
21	A	715	677	30.15
22	A	632	599	45.49
23	A	265	251	0.08
24	A	86	81	0.59

Atom	x (Å)	y (Å)	z (Å)
N1	-1.148	-0.062	0.000
C2	0.000	0.600	0.000
C3	0.181	2.076	0.000
H4	0.724	2.412	0.886
H5	0.724	2.412	-0.886
H6	-0.804	2.540	0.000
N7	0.988	-0.320	0.000
N8	0.466	-1.554	0.000
N9	-0.837	-1.381	0.000
H10	1.990	-0.203	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3255	2.5171	3.2263	3.2263	2.6253	2.1518	2.1976	1.3548	3.1413
C2	1.3255		1.4864	2.1423	2.1423	2.1002	1.3503	2.2041	2.1506	2.1460
C3	2.5171	1.4864		1.0923	1.0923	1.0889	2.5279	3.6409	3.6031	2.9095
H4	3.2263	2.1423	1.0923		1.7720	1.7712	2.8835	4.0715	4.1956	3.0367
H5	3.2263	2.1423	1.0923	1.7720		1.7712	2.8835	4.0715	4.1956	3.0367
H6	2.6253	2.1002	1.0889	1.7712	1.7712		3.3755	4.2869	3.9213	3.9157
N7	2.1518	1.3503	2.5279	2.8835	2.8835	3.3755		1.3404	2.1112	1.0086
N8	2.1976	2.2041	3.6409	4.0715	4.0715	4.2869	1.3404		1.3141	2.0372
N9	1.3548	2.1506	3.6031	4.1956	4.1956	3.9213	2.1112	1.3141		3.0627
H10	3.1413	2.1460	2.9095	3.0367	3.0367	3.9157	1.0086	2.0372	3.0627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.964	N1	C2	N7	107.060
N1	N9	N8	110.853	C2	N1	N9	106.711
C2	C3	H4	111.445	C2	C3	H5	111.445
C2	C3	H6	108.290	C2	N7	N8	110.002
C2	N7	H10	130.381	C3	C2	N7	125.975
H4	C3	H5	108.413	H4	C3	H6	108.585
H5	C3	H6	108.585	N7	N8	N9	105.373
N8	N7	H10	119.617

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H4N4 (1H-Tetrazole, 5-methyl-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)