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	hartrees
Energy at 0K	-256.903346
Energy at 298.15K	-256.908928
HF Energy	-256.903346
Nuclear repulsion energy	167.180419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3565	3512	98.61
2	A'	3229	3180	6.03
3	A'	1477	1455	14.13
4	A'	1438	1417	7.25
5	A'	1288	1269	11.65
6	A'	1240	1222	6.17
7	A'	1129	1112	6.26
8	A'	1099	1082	17.92
9	A'	1061	1045	34.36
10	A'	995	980	3.21
11	A'	957	943	4.16
12	A"	803	791	26.00
13	A"	730	719	7.06
14	A"	681	671	12.01
15	A"	602	593	78.30

Atom	x (Å)	y (Å)
C1	1.066	0.232
N2	0.000	1.053
N3	-1.111	0.300
N4	-0.723	-0.921
N5	0.628	-1.005
H6	2.107	0.555
H7	-0.063	2.071

	C1	N2	N3	N4	N5	H6	H7
C1		1.3453	2.1775	2.1279	1.3123	1.0898	2.1580
N2	1.3453		1.3416	2.1014	2.1517	2.1644	1.0201
N3	2.1775	1.3416		1.2803	2.1741	3.2272	2.0572
N4	2.1279	2.1014	1.2803		1.3540	3.1914	3.0630
N5	1.3123	2.1517	2.1741	1.3540		2.1498	3.1529
H6	1.0898	2.1644	3.2272	3.1914	2.1498		2.6467
H7	2.1580	1.0201	2.0572	3.0630	3.1529	2.6467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.271	C1	N2	H7	131.167
C1	N5	N4	105.883	N2	C1	N5	108.118
N2	C1	H6	125.127	N2	N3	N4	106.515
N3	N2	H7	120.562	N3	N4	N5	111.213
N5	C1	H6	126.755

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

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

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	-0.012
2	N	-0.250
3	N	-0.046
4	N	-0.033
5	N	-0.224
6	H	0.210
7	H	0.354

	x	y	z	Total
	2.650	4.937	0.000	5.603
CHELPG
AIM
ESP

	x	y	z
x	6.719	0.071	0.000
y	0.071	6.649	0.000
z	0.000	0.000	3.644

<r²>	70.456
(<r²>)^1/2	8.394

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

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

States and conformations

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