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	hartrees
Energy at 0K	-296.735627
Energy at 298.15K	-296.743051
HF Energy	-295.790665
Nuclear repulsion energy	227.903583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3444	97.97
2	A	3234	3047	0.48
3	A	3118	2938	8.40
4	A	1604	1512	39.52
5	A	1562	1472	0.75
6	A	1473	1388	14.26
7	A	1468	1383	12.67
8	A	1358	1280	9.75
9	A	1201	1132	6.29
10	A	1152	1085	1.09
11	A	1124	1059	22.26
12	A	1079	1017	15.59
13	A	1028	969	0.38
14	A	1018	959	2.08
15	A	695	655	3.97
16	A	339	319	4.54
17	A	3199	3014	5.53
18	A	1545	1456	11.31
19	A	1100	1037	1.36
20	A	735	693	16.34
21	A	705	665	28.83
22	A	610	575	60.05
23	A	265	250	0.18
24	A	78	73	0.76

Atom	x (Å)	y (Å)	z (Å)
N1	-1.150	-0.062	0.000
C2	0.000	0.603	0.000
C3	0.179	2.078	0.000
H4	0.722	2.414	0.887
H5	0.722	2.414	-0.887
H6	-0.809	2.539	0.000
N7	0.990	-0.316	0.000
N8	0.471	-1.559	0.000
N9	-0.840	-1.386	0.000
H10	1.997	-0.197	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3286	2.5190	3.2287	3.2287	2.6231	2.1554	2.2071	1.3599	3.1505
C2	1.3286		1.4861	2.1424	2.1424	2.0986	1.3505	2.2123	2.1584	2.1512
C3	2.5190	1.4861		1.0932	1.0932	1.0901	2.5278	3.6486	3.6102	2.9125
H4	3.2287	2.1424	1.0932		1.7739	1.7740	2.8833	4.0787	4.2030	3.0383
H5	3.2287	2.1424	1.0932	1.7739		1.7740	2.8833	4.0787	4.2030	3.0383
H6	2.6231	2.0986	1.0901	1.7740	1.7740		3.3747	4.2933	3.9248	3.9193
N7	2.1554	1.3505	2.5278	2.8833	2.8833	3.3747		1.3467	2.1192	1.0143
N8	2.2071	2.2123	3.6486	4.0787	4.0787	4.2933	1.3467		1.3222	2.0453
N9	1.3599	2.1584	3.6102	4.2030	4.2030	3.9248	2.1192	1.3222		3.0757
H10	3.1505	2.1512	2.9125	3.0383	3.0383	3.9193	1.0143	2.0453	3.0757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.910	N1	C2	N7	107.124
N1	N9	N8	110.742	C2	N1	N9	106.794
C2	C3	H4	111.417	C2	C3	H5	111.417
C2	C3	H6	108.115	C2	N7	N8	110.217
C2	N7	H10	130.389	C3	C2	N7	125.966
H4	C3	H5	108.448	H4	C3	H6	108.687
H5	C3	H6	108.687	N7	N8	N9	105.123
N8	N7	H10	119.395

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

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

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