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	hartrees
Energy at 0K	-256.890991
Energy at 298.15K	-256.896581
HF Energy	-256.890991
Nuclear repulsion energy	167.165618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3569	3502	87.15
2	A'	3228	3168	4.14
3	A'	1480	1452	13.35
4	A'	1442	1415	7.07
5	A'	1289	1265	10.74
6	A'	1241	1218	6.50
7	A'	1132	1111	7.23
8	A'	1098	1078	13.69
9	A'	1061	1041	37.18
10	A'	996	977	3.03
11	A'	958	940	4.06
12	A"	806	791	20.36
13	A"	736	723	7.38
14	A"	686	673	11.00
15	A"	610	599	81.32

Atom	x (Å)	y (Å)
C1	1.066	0.234
N2	0.000	1.049
N3	-1.116	0.306
N4	-0.718	-0.924
N5	0.629	-1.007
H6	2.104	0.561
H7	-0.061	2.067

	C1	N2	N3	N4	N5	H6	H7
C1		1.3413	2.1829	2.1268	1.3156	1.0889	2.1511
N2	1.3413		1.3409	2.0995	2.1494	2.1603	1.0198
N3	2.1829	1.3409		1.2926	2.1831	3.2306	2.0530
N4	2.1268	2.0995	1.2926		1.3491	3.1892	3.0622
N5	1.3156	2.1494	2.1831	1.3491		2.1528	3.1497
H6	1.0889	2.1603	3.2306	3.1892	2.1528		2.6377
H7	2.1511	1.0198	2.0530	3.0622	3.1497	2.6377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.948	C1	N2	H7	130.820
C1	N5	N4	105.899	N2	C1	N5	107.989
N2	C1	H6	125.165	N2	N3	N4	105.721
N3	N2	H7	120.232	N3	N4	N5	111.443
N5	C1	H6	126.846

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

using model chemistry: LSDA/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	0.257
2	N	-0.343
3	N	-0.051
4	N	-0.089
5	N	-0.285
6	H	0.188
7	H	0.323

	x	y	z	Total
	2.479	4.756	0.000	5.363
CHELPG
AIM
ESP

	x	y	z
x	5.682	0.168	0.000
y	0.168	5.596	0.000
z	0.000	0.000	2.353

<r²>	69.865
(<r²>)^1/2	8.359

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

using model chemistry: LSDA/6-31G**

States and conformations

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