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	hartrees
Energy at 0K	-257.543481
Energy at 298.15K	-257.549073
HF Energy	-256.748296
Nuclear repulsion energy	166.238051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3685	3510	104.78
2	A'	3328	3169	0.76
3	A'	1550	1476	20.97
4	A'	1503	1431	14.72
5	A'	1344	1280	18.67
6	A'	1299	1237	0.89
7	A'	1174	1118	15.06
8	A'	1089	1037	30.10
9	A'	1073	1021	17.71
10	A'	1021	973	0.45
11	A'	980	934	2.52
12	A"	866	824	19.84
13	A"	738	702	9.55
14	A"	691	658	8.82
15	A"	554	528	105.71

Atom	x (Å)	y (Å)
C1	1.070	0.233
N2	0.000	1.059
N3	-1.119	0.301
N4	-0.728	-0.924
N5	0.638	-1.010
H6	2.102	0.558
H7	-0.063	2.069

	C1	N2	N3	N4	N5	H6	H7
C1		1.3514	2.1900	2.1380	1.3153	1.0816	2.1573
N2	1.3514		1.3514	2.1123	2.1645	2.1604	1.0120
N3	2.1900	1.3514		1.2863	2.1923	3.2308	2.0590
N4	2.1380	2.1123	1.2863		1.3688	3.1941	3.0659
N5	1.3153	2.1645	2.1923	1.3688		2.1442	3.1572
H6	1.0816	2.1604	3.2308	3.1941	2.1442		2.6398
H7	2.1573	1.0120	2.0590	3.0659	3.1572	2.6398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.241	C1	N2	H7	131.241
C1	N5	N4	105.579	N2	C1	N5	108.508
N2	C1	H6	124.860	N2	N3	N4	106.392
N3	N2	H7	120.518	N3	N4	N5	111.280
N5	C1	H6	126.632

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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