Gaussian Job Archive for B2(2-)
Henry S. Rzepa
M J Harvey
10.6084/m9.figshare.92393.v1
https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_B2_2-_/92393
<p>Gaussian Job Archive</p>
2012-06-15 14:13:32
InChI=1/B2H4/c1-2/h1-2H2
InChIKey=QSJRRLWJRLPVID-UHFFFAOYSA-N
B#B
B2(2-)
opt
CCSD(T)/aug-cc-pvqz
Organic Chemistry