National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XIXIndex of properties
XXH-bond dimers
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I.B.1.c.2.

Species in point group Kh

Species Name casno
H- Hydrogen atom anion 12385136
H Hydrogen atom 12385136
H+ Hydrogen atom cation 12385136
D- Deuterium atom anion 16873179
D Deuterium atom 16873179
D+ Deuterium atom cation 16873179
He- Helium atom anion 7440597
He Helium atom 7440597
He+ Helium atom cation 7440597
Li- Lithium atom anion 7439932
Li Lithium atom 7439932
Li+ Lithium atom cation 7439932
Be- Beryllium atom anion 7440417
Be Beryllium atom 7440417
Be+ Beryllium atom cation 7440417
B- Boron atom anion 7440428
B- Boron atom anion 7440428
B Boron atom 7440428
B Boron atom 7440428
B+ Boron atom cation 7440428
C- Carbon atom anion 7440440
C- Carbon atom anion 7440440
C Carbon atom 7440440
C Carbon atom 7440440
C+ Carbon atom cation 7440440
N- Nitrogen atom anion 17778880
N Nitrogen atom 17778880
N Nitrogen atom 17778880
N+ Nitrogen atom cation 17778880
O- Oxygen atom anion 17778802
O Oxygen atom 17778802
O+ Oxygen atom cation 17778802
F- Fluorine atom anion 14762948
F Fluorine atom 14762948
F+ Fluorine atom cation 14762948
F+ Fluorine atom cation 14762948
Ne- Neon atom anion 7440019
Ne Neon atom 7440019
Ne Neon atom 7440019
Ne+ Neon atom cation 7440019
Na- Sodium atom anion 7440235
Na Sodium atom 7440235
Na+ Sodium atom cation 7440235
Mg- Magnesium atom anion 7439954
Mg Magnesium atom 7439954
Mg+ Magnesium atom cation 7439954
Al- Aluminum atom anion 7429905
Al- Aluminum atom anion 7429905
Al Aluminum atom 7429905
Al+ Aluminum atom cation 7429905
Si- Silicon atom anion 7440213
Si Silicon atom 7440213
Si Silicon atom 7440213
Si+ Silicon atom cation 7440213
P- Phosphorus atom anion 7723140
P Phosphorus atom 7723140
P+ Phosphorus atom cation 7723140
S- Sulfur atom anion 7704349
S Sulfur atom 7704349
S Sulfur atom 7704349
S+ Sulfur atom cation 7704349
Cl- Chlorine atom anion 22537151
Cl- Chlorine atom anion 22537151
Cl Chlorine atom 22537151
Cl+ Chlorine atom cation 22537151
Cl+ Chlorine atom cation 22537151
Ar- Argon atom anion 7440371
Ar Argon atom 7440371
Ar+ Argon atom cation 7440371
K- Potassium atom anion 7440097
K Potassium atom 7440097
K+ Potassium atom cation 7440097
Ca- Calcium atom anion 7440702
Ca Calcium atom 7440702
Ca+ Calcium atom cation 7440702
Sc Scandium atom 7440202
Sc Scandium atom 7440202
Sc+ Scandium cation 7440202
Ti- Titanium atom anion 7440326
Ti Titanium atom 7440326
Ti+ Titanium atom cation 7440326
V Vanadium atom 7440622
V+ Vanadium atom cation 7440622
Cr Chromium atom 7440473
Mn Manganese atom 7439965
Fe Iron atom 7439896
Co Cobalt atom 7440484
Ni Nickel atom 7440020
Cu- Copper atom anion 7440508
Cu Copper atom 7440508
Cu+ Copper atom cation 7440508
Zn- Zinc atom anion 7440666
Zn Zinc atom 7440666
Zn+ Zinc atom cation 7440666
Ga- Gallium atom anion 7440553
Ga Gallium atom 7440553
Ga+ Gallium atom cation 7440553
Ge- Germanium anion 7440564
Ge Germanium atom 7440564
Ge+ Germanium cation 7440564
As- Arsenic anion 7440382
As Arsenic atomic 7440382
As+ Arsenic cation 7440382
Se- Selenium atom anion 7782492
Se Selenium atom 7782492
Se+ Selenium atom cation 7782492
Br- Bromine atom anion 10097322
Br Bromine atom 10097322
Br+ Bromine atom cation 10097322
Kr Krypton atom 7439909
Kr+ Krypton cation 7439909
Sn Tin atom 7440315
Te Tellurium atom 13494809
Te+ Tellurium atom cation 13494809
I- Iodine atom anion 14362448
I Iodine atom 14362448
I+ Iodine atom cation 14362448
Xe Xenon atom 7440633