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	hartrees
Energy at 0K	-257.697235
Energy at 298.15K	-257.702875
HF Energy	-256.777894
Nuclear repulsion energy	167.061310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3738	3542	114.39
2	A'	3338	3162	1.69
3	A'	1546	1465	19.33
4	A'	1495	1417	13.20
5	A'	1350	1279	17.07
6	A'	1297	1229	0.62
7	A'	1171	1109	14.26
8	A'	1094	1036	29.09
9	A'	1078	1022	17.47
10	A'	1025	971	1.15
11	A'	986	934	2.81
12	A"	901	854	12.57
13	A"	748	708	8.67
14	A"	697	661	6.54
15	A"	572	542	87.56

Atom	x (Å)	y (Å)
C1	1.063	0.230
N2	0.000	1.055
N3	-1.112	0.300
N4	-0.724	-0.919
N5	0.636	-1.008
H6	2.089	0.556
H7	-0.062	2.058

	C1	N2	N3	N4	N5	H6	H7
C1		1.3457	2.1767	2.1249	1.3101	1.0762	2.1460
N2	1.3457		1.3444	2.1028	2.1590	2.1479	1.0046
N3	2.1767	1.3444		1.2795	2.1835	3.2116	2.0479
N4	2.1249	2.1028	1.2795		1.3628	3.1762	3.0498
N5	1.3101	2.1590	2.1835	1.3628		2.1348	3.1444
H6	1.0762	2.1479	3.2116	3.1762	2.1348		2.6234
H7	2.1460	1.0046	2.0479	3.0498	3.1444	2.6234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.025	C1	N2	H7	131.323
C1	N5	N4	105.293	N2	C1	N5	108.766
N2	C1	H6	124.598	N2	N3	N4	106.502
N3	N2	H7	120.651	N3	N4	N5	111.413
N5	C1	H6	126.635

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

using model chemistry: QCISD/6-31G(2df,p)

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(2df,p)

States and conformations

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