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	hartrees
Energy at 0K	-297.034021
Energy at 298.15K	-297.041411
HF Energy	-295.897896
Nuclear repulsion energy	230.625382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3161	2.01
2	A'	3219	3063	1.47
3	A'	3113	2962	13.38
4	A'	1554	1478	21.92
5	A'	1523	1449	20.85
6	A'	1464	1393	5.34
7	A'	1423	1354	0.20
8	A'	1330	1266	5.44
9	A'	1218	1159	8.47
10	A'	1160	1103	12.12
11	A'	1118	1064	24.56
12	A'	1088	1035	2.69
13	A'	1078	1026	0.56
14	A'	982	934	4.79
15	A'	694	660	9.89
16	A'	347	330	1.54
17	A"	3213	3057	1.47
18	A"	1499	1426	10.11
19	A"	1163	1107	0.00
20	A"	829	789	18.72
21	A"	730	695	0.80
22	A"	672	639	5.67
23	A"	233	222	0.05
24	A"	21	20	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-1.082	-0.228	0.000
N2	0.000	0.572	0.000
N3	1.087	-0.213	0.000
N4	0.667	-1.437	0.000
N5	-0.688	-1.486	0.000
H6	-2.097	0.126	0.000
C7	0.117	2.014	0.000
H8	-0.882	2.440	0.000
H9	0.653	2.334	0.888
H10	0.653	2.334	-0.888

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3456	2.1691	2.1261	1.3182	1.0746	2.5429	2.6754	3.2188	3.2188
N2	1.3456		1.3411	2.1168	2.1698	2.1434	1.4473	2.0654	2.0781	2.0781
N3	2.1691	1.3411		1.2938	2.1840	3.2016	2.4299	3.3037	2.7322	2.7322
N4	2.1261	2.1168	1.2938		1.3556	3.1749	3.4951	4.1747	3.8740	3.8740
N5	1.3182	2.1698	2.1840	1.3556		2.1408	3.5918	3.9305	4.1444	4.1444
H6	1.0746	2.1434	3.2016	3.1749	2.1408		2.9096	2.6133	3.6360	3.6360
C7	2.5429	1.4473	2.4299	3.4951	3.5918	2.9096		1.0853	1.0851	1.0851
H8	2.6754	2.0654	3.3037	4.1747	3.9305	2.6133	1.0853		1.7759	1.7759
H9	3.2188	2.0781	2.7322	3.8740	4.1444	3.6360	1.0851	1.7759		1.7760
H10	3.2188	2.0781	2.7322	3.8740	4.1444	3.6360	1.0851	1.7759	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.675	C1	N2	C7	131.112
C1	N5	N4	105.330	N2	C1	N5	109.083
N2	C1	H6	124.279	N2	N3	N4	106.896
N2	C7	H8	108.438	N2	C7	H9	109.459
N2	C7	H10	109.459	N3	N2	C7	121.213
N3	N4	N5	111.016	N5	C1	H6	126.639
H8	C7	H9	109.813	H8	C7	H10	109.813
H9	C7	H10	109.835

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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