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	hartrees
Energy at 0K	-258.024029
Energy at 298.15K	-258.029710
HF Energy	-258.024029
Nuclear repulsion energy	164.716558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3742	144.43
2	A'	3384	3384	8.51
3	A'	1524	1524	42.71
4	A'	1448	1448	5.62
5	A'	1284	1284	1.61
6	A'	1254	1254	13.55
7	A'	1168	1168	14.24
8	A'	1061	1061	16.94
9	A'	1031	1031	5.83
10	A'	1005	1005	18.79
11	A'	924	924	6.35
12	A"	916	916	11.58
13	A"	753	753	177.69
14	A"	735	735	2.05
15	A"	688	688	7.16

Atom	x (Å)	y (Å)
C1	1.087	0.248
N2	0.000	1.063
N3	-1.130	0.293
N4	-0.739	-0.943
N5	0.644	-1.002
H6	2.111	0.568
H7	-0.067	2.065

	C1	N2	N3	N4	N5	H6	H7
C1		1.3592	2.2175	2.1796	1.3260	1.0729	2.1532
N2	1.3592		1.3670	2.1373	2.1631	2.1686	1.0046
N3	2.2175	1.3670		1.2960	2.1959	3.2526	2.0667
N4	2.1796	2.1373	1.2960		1.3837	3.2255	3.0821
N5	1.3260	2.1631	2.1959	1.3837		2.1491	3.1486
H6	1.0729	2.1686	3.2526	3.2255	2.1491		2.6431
H7	2.1532	1.0046	2.0667	3.0821	3.1486	2.6431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.852	C1	N2	H7	130.671
C1	N5	N4	107.083	N2	C1	N5	107.322
N2	C1	H6	125.757	N2	N3	N4	106.724
N3	N2	H7	120.477	N3	N4	N5	110.019
N5	C1	H6	126.921

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

using model chemistry: M06-2X/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	0.295
2	N	-0.598
3	N	0.027
4	N	-0.088
5	N	-0.295
6	H	0.254
7	H	0.404

	x	y	z	Total
	2.776	5.227	0.000	5.919
CHELPG
AIM
ESP

	x	y	z
x	5.420	0.149	0.000
y	0.149	5.372	0.000
z	0.000	0.000	2.033

<r²>	72.125
(<r²>)^1/2	8.493

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

using model chemistry: M06-2X/6-31G

States and conformations

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