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	hartrees
Energy at 0K	-257.805281
Energy at 298.15K	-257.810924
HF Energy	-256.840570
Nuclear repulsion energy	166.529072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3671	3485	113.70
2	A'	3329	3161	2.87
3	A'	1489	1413	7.55
4	A'	1472	1398	21.59
5	A'	1262	1199	1.54
6	A'	1188	1128	2.09
7	A'	1146	1088	12.58
8	A'	1110	1053	12.49
9	A'	1081	1027	29.94
10	A'	1006	955	3.69
11	A'	963	915	2.70
12	A"	847	804	22.90
13	A"	743	705	15.11
14	A"	701	666	11.68
15	A"	625	593	61.89

Atom	x (Å)	y (Å)
C1	1.067	0.236
N2	0.000	1.052
N3	-1.120	0.317
N4	-0.720	-0.934
N5	0.634	-1.012
H6	2.090	0.563
H7	-0.055	2.057

	C1	N2	N3	N4	N5	H6	H7
C1		1.3431	2.1882	2.1358	1.3210	1.0738	2.1392
N2	1.3431		1.3388	2.1119	2.1587	2.1463	1.0070
N3	2.1882	1.3388		1.3137	2.2005	3.2189	2.0393
N4	2.1358	2.1119	1.3137		1.3560	3.1836	3.0639
N5	1.3210	2.1587	2.2005	1.3560		2.1448	3.1455
H6	1.0738	2.1463	3.2189	3.1836	2.1448		2.6144
H7	2.1392	1.0070	2.0393	3.0639	3.1455	2.6144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.356	C1	N2	H7	130.544
C1	N5	N4	105.843	N2	C1	N5	108.247
N2	C1	H6	124.890	N2	N3	N4	105.537
N3	N2	H7	120.100	N3	N4	N5	111.017
N5	C1	H6	126.863

All results from a given calculation for CH₂N₄ (1H-Tetrazole)

using model chemistry: MP2/cc-pVTZ

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 CH2N4 (1H-Tetrazole)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CH₂N₄ (1H-Tetrazole)