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	hartrees
Energy at 0K	-296.740207
Energy at 298.15K	-296.747692
HF Energy	-295.795829
Nuclear repulsion energy	229.078799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3494	102.19
2	A'	3228	3029	0.91
3	A'	3119	2926	8.19
4	A'	1668	1565	50.06
5	A'	1569	1472	0.78
6	A'	1503	1410	31.97
7	A'	1481	1389	2.24
8	A'	1424	1336	1.28
9	A'	1347	1263	23.16
10	A'	1156	1085	3.72
11	A'	1151	1080	13.87
12	A'	1113	1044	20.25
13	A'	1044	980	0.39
14	A'	1033	969	2.05
15	A'	707	663	3.94
16	A'	346	324	4.48
17	A"	3188	2992	6.77
18	A"	1543	1448	11.30
19	A"	1106	1038	1.59
20	A"	746	700	9.20
21	A"	715	671	19.50
22	A"	583	547	86.20
23	A"	276	259	0.08
24	A"	84	79	0.76

Atom	x (Å)	y (Å)	z (Å)
N1	-1.144	-0.052	0.000
C2	0.000	0.596	0.000
C3	0.190	2.074	0.000
H4	0.740	2.401	0.888
H5	0.740	2.401	-0.888
H6	-0.793	2.544	0.000
N7	0.989	-0.323	0.000
N8	0.440	-1.554	0.000
N9	-0.831	-1.378	0.000
H10	1.993	-0.216	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3145	2.5093	3.2169	3.2169	2.6192	2.1505	2.1824	1.3633	3.1412
C2	1.3145		1.4897	2.1426	2.1426	2.1031	1.3509	2.1943	2.1425	2.1523
C3	2.5093	1.4897		1.0939	1.0939	1.0902	2.5269	3.6359	3.6002	2.9143
H4	3.2169	2.1426	1.0939		1.7753	1.7772	2.8759	4.0637	4.1877	3.0340
H5	3.2169	2.1426	1.0939	1.7753		1.7772	2.8759	4.0637	4.1877	3.0340
H6	2.6192	2.1031	1.0902	1.7772	1.7772		3.3765	4.2791	3.9227	3.9219
N7	2.1505	1.3509	2.5269	2.8759	2.8759	3.3765		1.3475	2.1041	1.0095
N8	2.1824	2.1943	3.6359	4.0637	4.0637	4.2791	1.3475		1.2826	2.0502
N9	1.3633	2.1425	3.6002	4.1877	4.1877	3.9227	2.1041	1.2826		3.0542
H10	3.1412	2.1523	2.9143	3.0340	3.0340	3.9219	1.0095	2.0502	3.0542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.865	N1	C2	N7	107.567
N1	N9	N8	111.106	C2	N1	N9	106.266
C2	C3	H4	111.131	C2	C3	H5	111.131
C2	C3	H6	108.216	C2	N7	N8	108.822
C2	N7	H10	130.976	C3	C2	N7	125.568
H4	C3	H5	108.477	H4	C3	H6	108.919
H5	C3	H6	108.919	N7	N8	N9	106.239
N8	N7	H10	120.202

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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