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	hartrees
Energy at 0K	-257.575576
Energy at 298.15K	-257.581148
HF Energy	-256.761927
Nuclear repulsion energy	166.215443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3544	114.54
2	A'	3366	3182	1.49
3	A'	1549	1465	21.89
4	A'	1504	1422	14.51
5	A'	1339	1266	19.57
6	A'	1299	1228	0.44
7	A'	1169	1105	15.17
8	A'	1085	1026	26.75
9	A'	1067	1009	21.07
10	A'	1016	961	0.08
11	A'	975	922	2.44
12	A"	861	814	24.62
13	A"	720	681	10.02
14	A"	681	644	11.51
15	A"	529	501	89.42

Atom	x (Å)	y (Å)
C1	1.071	0.234
N2	0.000	1.060
N3	-1.118	0.300
N4	-0.728	-0.926
N5	0.638	-1.009
H6	2.096	0.557
H7	-0.061	2.065

	C1	N2	N3	N4	N5	H6	H7
C1		1.3520	2.1896	2.1407	1.3165	1.0756	2.1519
N2	1.3520		1.3520	2.1154	2.1652	2.1559	1.0066
N3	2.1896	1.3520		1.2864	2.1903	3.2249	2.0574
N4	2.1407	2.1154	1.2864		1.3689	3.1907	3.0645
N5	1.3165	2.1652	2.1903	1.3689		2.1404	3.1523
H6	1.0756	2.1559	3.2249	3.1907	2.1404		2.6317
H7	2.1519	1.0066	2.0574	3.0645	3.1523	2.6317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.149	C1	N2	H7	131.103
C1	N5	N4	105.703	N2	C1	N5	108.461
N2	C1	H6	124.875	N2	N3	N4	106.574
N3	N2	H7	120.748	N3	N4	N5	111.112
N5	C1	H6	126.663

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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