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	hartrees
Energy at 0K	-257.867160
Energy at 298.15K	-257.872807
HF Energy	-257.867160
Nuclear repulsion energy	164.524493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3746	3583	110.83
2	A'	3384	3237	5.48
3	A'	1506	1441	38.44
4	A'	1436	1374	4.15
5	A'	1264	1209	1.18
6	A'	1222	1169	12.49
7	A'	1162	1112	14.19
8	A'	1051	1005	14.16
9	A'	1023	979	5.27
10	A'	975	932	17.06
11	A'	894	855	8.34
12	A"	894	855	14.53
13	A"	752	720	166.19
14	A"	727	696	0.45
15	A"	681	651	10.44

Atom	x (Å)	y (Å)
C1	1.080	0.251
N2	0.000	1.066
N3	-1.142	0.298
N4	-0.734	-0.946
N5	0.659	-1.010
H6	2.104	0.572
H7	-0.065	2.068

	C1	N2	N3	N4	N5	H6	H7
C1		1.3529	2.2218	2.1725	1.3291	1.0737	2.1483
N2	1.3529		1.3758	2.1414	2.1778	2.1611	1.0047
N3	2.2218	1.3758		1.3093	2.2252	3.2571	2.0720
N4	2.1725	2.1414	1.3093		1.3936	3.2182	3.0877
N5	1.3291	2.1778	2.2252	1.3936		2.1432	3.1624
H6	1.0737	2.1611	3.2571	3.2182	2.1432		2.6350
H7	2.1483	1.0047	2.0720	3.0877	3.1624	2.6350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.022	C1	N2	H7	130.771
C1	N5	N4	105.841	N2	C1	N5	108.583
N2	C1	H6	125.507	N2	N3	N4	105.763
N3	N2	H7	120.207	N3	N4	N5	110.791
N5	C1	H6	125.910

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

using model chemistry: HSEh1PBE/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	0.306
2	N	-0.586
3	N	0.021
4	N	-0.091
5	N	-0.302
6	H	0.254
7	H	0.397

	x	y	z	Total
	2.760	5.182	0.000	5.871
CHELPG
AIM
ESP

	x	y	z
x	5.550	0.154	0.000
y	0.154	5.476	0.000
z	0.000	0.000	2.064

<r²>	72.140
(<r²>)^1/2	8.494

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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