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	hartrees
Energy at 0K	-257.563586
Energy at 298.15K	-257.569236
HF Energy	-256.775015
Nuclear repulsion energy	166.473646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3550	117.90
2	A'	3332	3187	1.18
3	A'	1559	1491	14.28
4	A'	1520	1454	18.17
5	A'	1350	1292	16.09
6	A'	1307	1250	0.02
7	A'	1166	1116	9.77
8	A'	1121	1073	26.18
9	A'	1097	1049	22.40
10	A'	1028	984	2.30
11	A'	991	948	1.78
12	A"	876	838	18.45
13	A"	749	716	9.83
14	A"	699	669	7.54
15	A"	573	549	81.38

Atom	x (Å)	y (Å)
C1	1.068	0.228
N2	0.000	1.060
N3	-1.114	0.306
N4	-0.728	-0.920
N5	0.633	-1.015
H6	2.108	0.553
H7	-0.058	2.071

	C1	N2	N3	N4	N5	H6	H7
C1		1.3541	2.1836	2.1322	1.3173	1.0895	2.1603
N2	1.3541		1.3451	2.1100	2.1698	2.1681	1.0133
N3	2.1836	1.3451		1.2854	2.1904	3.2315	2.0574
N4	2.1322	2.1100	1.2854		1.3647	3.1963	3.0661
N5	1.3173	2.1698	2.1904	1.3647		2.1532	3.1634
H6	1.0895	2.1681	3.2315	3.1963	2.1532		2.6450
H7	2.1603	1.0133	2.0574	3.0661	3.1634	2.6450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.993	C1	N2	H7	131.179
C1	N5	N4	105.296	N2	C1	N5	108.620
N2	C1	H6	124.715	N2	N3	N4	106.639
N3	N2	H7	120.828	N3	N4	N5	111.453
N5	C1	H6	126.665

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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