Chromium Basis-Sets:
24 7 0 0 8 2.0 1.0 235200.0 0.00027 35040.0 0.00211 7806.0 0.01139 2134.0 0.0486 669.2 0.1591 235.9 0.3555 90.52 0.4231 35.88 0.1482 0 1 6 8.0 1.0 735.0 -0.00473 0.00843 176.1 -0.0593 0.061 57.65 -0.1353 0.2304 21.84 0.2375 0.4743 8.987 0.6731 0.4606 3.460 0.2487 0.1696 0 1 4 8.0 1.0 33.84 0.011 -0.0279 11.72 -0.4207 -0.0812 5.414 -0.8673 0.2211 2.502 0.9675 1.033 0 1 1 1.0 1.0 1.159 1.0 1.0 0 1 1 0.0 1.0 0.5035 1.0 1.0 0 3 4 5.0 1.0 30.57 0.03077 8.403 0.1604 2.834 0.3907 1.002 0.4788 0 3 1 0.0 1.0 0.3538 1.0 M. Catti, G. Sandrone, G. Valerio and R. Dovesi, ``Electronic, magnetic and crystal structure of Cr2O3 by theoretical methods'', J. Phys. Chem. Solids 57, 1735-1741 (1996). E. Ruiz, M. Llunell, P. Alemany, "Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets", J. Solid State Chem. 176, 400-411 (2003)
24 14 0 0 8 2.0 1.0 254477.80704 0.00023386945693 38131.797054 0.00181426018000 8675.2930607 0.00943639257210 2455.0099848 0.03834363936700 799.16217787 0.12459194837000 286.90021489 0.29489696029000 111.25413232 0.41846149607000 43.864152636 0.21633763420000 0 0 4 2.0 1.0 279.32669173 -0.02345090811100 86.274732376 -0.11080370027000 13.555756113 0.53028965842000 5.6978112751 0.51603516947000 0 0 2 2.0 1.0 8.5636582615 -0.38109545675000 1.3988296768 1.19915914360000 0 0 1 1.0 1.0 1.5142137900 1.00000000000000 0 0 1 0.0 1.0 0.5047379300 1.00000000000000 0 0 1 0.0 1.0 0.1505787700 1.00000000000000 0 2 6 6.0 1.0 1306.4398864 0.00242773261850 309.25311441 0.01954404101700 98.996273963 0.09065179455300 36.756916451 0.25699279154000 14.566657077 0.40935504891000 5.8739937432 0.23729388849000 0 2 3 6.0 1.0 22.890999695 -0.02816602661300 3.0855001822 0.56034120148000 1.2132329118 0.98119019650000 0 2 1 0.0 1.0 0.4593168100 1.00000000000000 0 2 1 0.0 1.0 0.2296584050 1.0000000000000 0 3 4 5.0 1.0 43.720074476 0.01362296402600 12.391242652 0.07893518013300 4.2639442006 0.23833840000000 1.5525221790 0.39526851122000 0 3 1 0.0 1.0 1.1288617700 1.00000000000000 0 3 1 0.0 1.0 0.5172623600 1.00000000000000 0 4 1 0.0 1.0 1.1470000000 1.00000000000000 M. F. Peintinger, D. Vilela Oliveira, and T. Bredow "Consistent Gaussian Basis Sets of Triple-Zeta Valence with Polarization Quality for Solid-State Calculations", Journal of Computational Chemistry 2012, DOI: 10.1002/jcc.23153
24 11 0 0 6 2 1 51528.0863490 0.0014405823106 7737.21034870 0.0110362022870 1760.37484700 0.0546766518060 496.877065440 0.1896503810300 161.465205980 0.3829541285000 55.4663522680 0.2909005066800 0 0 3 2 1 107.547329990 -0.1093228110000 12.4086718970 0.6447259947100 5.04236288260 0.4626271256000 0 0 3 2 1 8.54616401650 -0.2271101328600 1.39004412210 0.7330152759100 0.56066602876 0.4422556543300 0 0 1 2 1 0.48497949000 1.0000000000000 0 0 1 0 1 0.14539019000 1.0000000000000 0 2 5 6 1 640.485360960 0.0096126715203 150.697111940 0.0708898346550 47.5037552960 0.2706525899000 16.9341201650 0.5243734341400 6.24096805900 0.3410799471400 0 2 3 6 1 3.08854632060 0.3397398690300 1.17910477690 0.5727206292700 0.43369774432 0.2458272820600 0 2 1 0 1 0.33254991000 1.0000000000000 0 3 4 4 1 27.5594794260 0.0306124880440 7.46870203270 0.1559327094400 2.43459035740 0.3698442127600 0.78244754808 0.4707111807700 0 3 1 0 1 0.21679761000 1.0000000000000 0 4 1 0 1 1.14700000000 1.0000000000000 D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow "BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations", Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013
24 14 0 0 8 2.0 1.0 254477.80704 0.00023386945693 38131.797054 0.00181426018000 8675.2930607 0.00943639257210 2455.0099848 0.03834363936700 799.16217787 0.12459194837000 286.90021489 0.29489696029000 111.25413232 0.41846149607000 43.864152636 0.21633763420000 0 0 4 2.0 1.0 279.32669173 -0.02345090811100 86.274732376 -0.11080370027000 13.555756113 0.53028965842000 5.6978112751 0.51603516947000 0 0 2 2.0 1.0 8.5636582615 -0.38109545675000 1.3988296768 1.19915914360000 0 0 1 2.0 1.0 1.5142137900 1.00000000000000 0 0 1 0.0 1.0 0.5047379300 1.00000000000000 0 0 1 0.0 1.0 0.1305787700 1.00000000000000 0 2 6 6.0 1.0 1306.4398864 0.00242773261850 309.25311441 0.01954404101700 98.996273963 0.09065179455300 36.756916451 0.25699279154000 14.566657077 0.40935504891000 5.8739937432 0.23729388849000 0 2 3 6.0 1.0 22.890999695 -0.02816602661300 3.0855001822 0.56034120148000 1.2132329118 0.98119019650000 0 2 1 0.0 1.0 0.4593168100 1.00000000000000 0 2 1 0.0 1.0 0.2296584050 1.0000000000000 0 3 4 4.0 1.0 43.720074476 0.01362296402600 12.391242652 0.07893518013300 4.2639442006 0.23833840000000 1.5525221790 0.39526851122000 0 3 1 0.0 1.0 0.8288617700 1.00000000000000 0 3 1 0.0 1.0 0.3172623600 1.00000000000000 0 4 1 0.0 1.0 1.1470000000 1.00000000000000 D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow "BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations", Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013