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	hartrees
Energy at 0K	-258.217697
Energy at 298.15K	-258.223388
HF Energy	-258.217697
Nuclear repulsion energy	167.751622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3684	3684	128.63
2	A'	3299	3299	3.37
3	A'	1557	1557	17.90
4	A'	1494	1494	10.08
5	A'	1365	1365	21.94
6	A'	1301	1301	0.95
7	A'	1165	1165	13.32
8	A'	1104	1104	30.18
9	A'	1090	1090	21.73
10	A'	1034	1034	1.05
11	A'	1000	1000	3.27
12	A"	896	896	16.69
13	A"	757	757	9.22
14	A"	706	706	11.04
15	A"	623	623	90.73

Atom	x (Å)	y (Å)
C1	1.064	0.230
N2	0.000	1.049
N3	-1.111	0.300
N4	-0.721	-0.917
N5	0.630	-1.002
H6	2.091	0.553
H7	-0.063	2.055

	C1	N2	N3	N4	N5	H6	H7
C1		1.3429	2.1759	2.1216	1.3063	1.0766	2.1448
N2	1.3429		1.3395	2.0937	2.1459	2.1491	1.0078
N3	2.1759	1.3395		1.2776	2.1741	3.2117	2.0438
N4	2.1216	2.0937	1.2776		1.3539	3.1730	3.0435
N5	1.3063	2.1459	2.1741	1.3539		2.1338	3.1346
H6	1.0766	2.1491	3.2117	3.1730	2.1338		2.6257
H7	2.1448	1.0078	2.0438	3.0435	3.1346	2.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.423	C1	N2	H7	131.153
C1	N5	N4	105.779	N2	C1	N5	108.183
N2	C1	H6	124.942	N2	N3	N4	106.236
N3	N2	H7	120.424	N3	N4	N5	111.378
N5	C1	H6	126.875

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

using model chemistry: M06-2X/6-311G**

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	0.245
2	N	-0.331
3	N	-0.022
4	N	-0.083
5	N	-0.259
6	H	0.168
7	H	0.282

	x	y	z	Total
	2.522	4.822	0.000	5.442
CHELPG
AIM
ESP

	x	y	z
x	5.612	0.128	0.000
y	0.128	5.565	0.000
z	0.000	0.000	2.601

<r²>	69.748
(<r²>)^1/2	8.352

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

using model chemistry: M06-2X/6-311G**

States and conformations

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