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	hartrees
Energy at 0K	-256.754076
Energy at 298.15K	-256.759887
HF Energy	-256.754076
Nuclear repulsion energy	169.828734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3925	3527	139.19
2	A'	3496	3141	0.29
3	A'	1722	1547	25.51
4	A'	1629	1464	11.45
5	A'	1549	1392	37.84
6	A'	1429	1284	1.11
7	A'	1262	1134	18.66
8	A'	1203	1081	35.67
9	A'	1182	1062	23.96
10	A'	1115	1002	1.66
11	A'	1093	982	1.96
12	A"	1011	908	9.29
13	A"	815	733	8.77
14	A"	753	676	6.98
15	A"	623	560	131.33

Atom	x (Å)	y (Å)
C1	1.053	0.226
N2	0.000	1.039
N3	-1.095	0.291
N4	-0.716	-0.902
N5	0.622	-0.990
H6	2.072	0.543
H7	-0.061	2.031

	C1	N2	N3	N4	N5	H6	H7
C1		1.3302	2.1492	2.0980	1.2893	1.0678	2.1215
N2	1.3302		1.3261	2.0688	2.1217	2.1307	0.9941
N3	2.1492	1.3261		1.2521	2.1426	3.1777	2.0237
N4	2.0980	2.0688	1.2521		1.3415	3.1409	3.0053
N5	1.2893	2.1217	2.1426	1.3415		2.1099	3.0970
H6	1.0678	2.1307	3.1777	3.1409	2.1099		2.6013
H7	2.1215	0.9941	2.0237	3.0053	3.0970	2.6013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.009	C1	N2	H7	131.227
C1	N5	N4	105.767	N2	C1	N5	108.173
N2	C1	H6	125.026	N2	N3	N4	106.690
N3	N2	H7	120.764	N3	N4	N5	111.361
N5	C1	H6	126.801

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

using model chemistry: HF/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	0.304
2	N	-0.540
3	N	-0.021
4	N	-0.067
5	N	-0.360
6	H	0.256
7	H	0.429

	x	y	z	Total
	2.673	4.969	0.000	5.642
CHELPG
AIM
ESP

	x	y	z
x	5.078	0.106	0.000
y	0.106	5.131	0.000
z	0.000	0.000	2.248

<r²>	68.502
(<r²>)^1/2	8.277

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

using model chemistry: HF/6-31G*

States and conformations

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