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	hartrees
Energy at 0K	-296.730038
Energy at 298.15K	-296.737477
HF Energy	-295.786219
Nuclear repulsion energy	230.949387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3352	3146	0.81
2	A'	3237	3037	3.69
3	A'	3140	2946	15.57
4	A'	1612	1512	40.29
5	A'	1572	1475	18.87
6	A'	1514	1421	4.42
7	A'	1512	1418	0.99
8	A'	1388	1302	5.20
9	A'	1345	1262	8.17
10	A'	1250	1173	26.20
11	A'	1167	1095	29.46
12	A'	1105	1036	3.05
13	A'	1091	1023	7.74
14	A'	1023	960	4.05
15	A'	719	675	10.39
16	A'	361	339	1.52
17	A"	3230	3031	4.10
18	A"	1536	1442	9.63
19	A"	1188	1115	0.05
20	A"	866	812	14.37
21	A"	742	696	0.82
22	A"	670	629	7.88
23	A"	230	216	0.00
24	A"	15	15	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-1.085	-0.227	0.000
N2	0.000	0.570	0.000
N3	1.088	-0.219	0.000
N4	0.666	-1.436	0.000
N5	-0.692	-1.481	0.000
H6	-2.105	0.127	0.000
C7	0.123	2.015	0.000
H8	-0.879	2.445	0.000
H9	0.662	2.335	0.892
H10	0.662	2.335	-0.892

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3460	2.1725	2.1280	1.3141	1.0797	2.5463	2.6803	3.2270	3.2270
N2	1.3460		1.3435	2.1133	2.1641	2.1510	1.4503	2.0716	2.0863	2.0863
N3	2.1725	1.3435		1.2875	2.1813	3.2113	2.4334	3.3118	2.7393	2.7393
N4	2.1280	2.1133	1.2875		1.3589	3.1816	3.4932	4.1776	3.8754	3.8754
N5	1.3141	2.1641	2.1813	1.3589		2.1406	3.5893	3.9308	4.1465	4.1465
H6	1.0797	2.1510	3.2113	3.1816	2.1406		2.9200	2.6226	3.6510	3.6510
C7	2.5463	1.4503	2.4334	3.4932	3.5893	2.9200		1.0905	1.0908	1.0908
H8	2.6803	2.0716	3.3118	4.1776	3.9308	2.6226	1.0905		1.7841	1.7841
H9	3.2270	2.0863	2.7393	3.8754	4.1465	3.6510	1.0908	1.7841		1.7845
H10	3.2270	2.0863	2.7393	3.8754	4.1465	3.6510	1.0908	1.7841	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.757	C1	N2	C7	131.141
C1	N5	N4	105.508	N2	C1	N5	108.878
N2	C1	H6	124.579	N2	N3	N4	106.858
N2	C7	H8	108.406	N2	C7	H9	109.560
N2	C7	H10	109.560	N3	N2	C7	121.102
N3	N4	N5	110.998	N5	C1	H6	126.543
H8	C7	H9	109.758	H8	C7	H10	109.758
H9	C7	H10	109.777

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

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

States and conformations

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