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	hartrees
Energy at 0K	-257.867424
Energy at 298.15K	-257.873151
HF Energy	-256.846610
Nuclear repulsion energy	168.355580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3777	3522	120.88
2	A'	3367	3140	1.64
3	A'	1582	1475	16.10
4	A'	1537	1434	16.04
5	A'	1371	1278	15.92
6	A'	1329	1239	0.21
7	A'	1189	1109	14.05
8	A'	1132	1056	24.42
9	A'	1107	1033	21.78
10	A'	1044	974	1.71
11	A'	1010	942	1.83
12	A"	929	867	15.46
13	A"	764	712	11.12
14	A"	714	666	9.97
15	A"	626	584	79.79

Atom	x (Å)	y (Å)
C1	1.057	0.228
N2	0.000	1.048
N3	-1.104	0.300
N4	-0.720	-0.912
N5	0.630	-1.001
H6	2.074	0.549
H7	-0.058	2.044

	C1	N2	N3	N4	N5	H6	H7
C1		1.3377	2.1622	2.1115	1.3010	1.0668	2.1310
N2	1.3377		1.3337	2.0883	2.1437	2.1334	0.9977
N3	2.1622	1.3337		1.2712	2.1678	3.1881	2.0337
N4	2.1115	2.0883	1.2712		1.3533	3.1535	3.0293
N5	1.3010	2.1437	2.1678	1.3533		2.1186	3.1218
H6	1.0668	2.1334	3.1881	3.1535	2.1186		2.6042
H7	2.1310	0.9977	2.0337	3.0293	3.1218	2.6042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.069	C1	N2	H7	131.150
C1	N5	N4	105.388	N2	C1	N5	108.653
N2	C1	H6	124.674	N2	N3	N4	106.555
N3	N2	H7	120.781	N3	N4	N5	111.335
N5	C1	H6	126.672

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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