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	hartrees
Energy at 0K	-258.198357
Energy at 298.15K	-258.203775
HF Energy	-258.198357
Nuclear repulsion energy	164.290857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3524	3496	48.35
2	A'	3220	3194	0.16
3	A'	1440	1428	15.81
4	A'	1395	1384	8.27
5	A'	1212	1202	0.45
6	A'	1193	1184	14.93
7	A'	1106	1098	16.52
8	A'	1008	1000	21.89
9	A'	969	961	4.73
10	A'	941	933	9.87
11	A'	890	882	7.25
12	A"	800	793	19.83
13	A"	703	697	6.80
14	A"	662	657	7.45
15	A"	521	516	82.05

Atom	x (Å)	y (Å)
C1	1.079	0.242
N2	0.000	1.069
N3	-1.143	0.302
N4	-0.731	-0.941
N5	0.656	-1.018
H6	2.113	0.577
H7	-0.064	2.087

	C1	N2	N3	N4	N5	H6	H7
C1		1.3600	2.2228	2.1630	1.3290	1.0868	2.1707
N2	1.3600		1.3759	2.1393	2.1876	2.1695	1.0196
N3	2.2228	1.3759		1.3101	2.2312	3.2672	2.0846
N4	2.1630	2.1393	1.3101		1.3893	3.2245	3.1006
N5	1.3290	2.1876	2.2312	1.3893		2.1607	3.1870
H6	1.0868	2.1695	3.2672	3.2245	2.1607		2.6493
H7	2.1707	1.0196	2.0846	3.1006	3.1870	2.6493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.674	C1	N2	H7	131.089
C1	N5	N4	105.425	N2	C1	N5	108.885
N2	C1	H6	124.541	N2	N3	N4	105.564
N3	N2	H7	120.236	N3	N4	N5	111.453
N5	C1	H6	126.575

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.264
2	N	-0.370
3	N	-0.045
4	N	-0.083
5	N	-0.281
6	H	0.175
7	H	0.340

	x	y	z	Total
	2.374	4.596	0.000	5.173
CHELPG
AIM
ESP

	x	y	z
x	5.811	0.162	0.000
y	0.162	5.777	0.000
z	0.000	0.000	2.322

<r²>	71.738
(<r²>)^1/2	8.470

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

using model chemistry: BLYP/6-31G*

States and conformations

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