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	hartrees
Energy at 0K	-257.581229
Energy at 298.15K	-257.586854
HF Energy	-256.774735
Nuclear repulsion energy	166.293717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3702	3702	111.79
2	A'	3332	3332	1.17
3	A'	1549	1549	15.65
4	A'	1503	1503	13.95
5	A'	1351	1351	16.88
6	A'	1293	1293	0.27
7	A'	1160	1160	13.54
8	A'	1092	1092	26.98
9	A'	1077	1077	20.34
10	A'	1021	1021	1.08
11	A'	981	981	1.97
12	A"	881	881	17.27
13	A"	744	744	9.09
14	A"	694	694	6.26
15	A"	556	556	84.52

Atom	x (Å)	y (Å)
C1	1.069	0.229
N2	0.000	1.061
N3	-1.116	0.304
N4	-0.728	-0.921
N5	0.635	-1.016
H6	2.107	0.554
H7	-0.058	2.072

	C1	N2	N3	N4	N5	H6	H7
C1		1.3546	2.1855	2.1331	1.3178	1.0886	2.1608
N2	1.3546		1.3480	2.1113	2.1717	2.1674	1.0131
N3	2.1855	1.3480		1.2849	2.1926	3.2326	2.0602
N4	2.1331	2.1113	1.2849		1.3666	3.1964	3.0673
N5	1.3178	2.1717	2.1926	1.3666		2.1524	3.1651
H6	1.0886	2.1674	3.2326	3.1964	2.1524		2.6445
H7	2.1608	1.0131	2.0602	3.0673	3.1651	2.6445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.937	C1	N2	H7	131.198
C1	N5	N4	105.222	N2	C1	N5	108.705
N2	C1	H6	124.676	N2	N3	N4	106.604
N3	N2	H7	120.865	N3	N4	N5	111.531
N5	C1	H6	126.619

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

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