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h2o_den_slice.cube
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h2o_den_slice.cube
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Electron density in real space (e/Bohr^3)
PySCF Version: 2.1.1 Date: Thu Nov 24 15:36:24 2022
2 -3.000000 -3.000000 -3.000000
1 0.000000 0.000000 0.000000
1 0.000000 0.000000 0.000000
80 0.000000 0.000000 0.093029
1 0.000000 0.000000 0.000000 0.000000
1 0.000000 0.000000 0.000000 1.349264
6.42438E-07 7.84055E-07 9.51780E-07 1.14924E-06 1.38029E-06 1.64901E-06
1.95966E-06 2.31656E-06 2.72409E-06 3.18653E-06 3.70802E-06 4.29240E-06
4.94307E-06 5.66292E-06 6.45410E-06 7.31794E-06 8.25480E-06 9.26392E-06
1.03433E-05 1.14896E-05 1.26980E-05 1.39624E-05 1.52751E-05 1.66267E-05
1.80069E-05 1.94035E-05 2.08036E-05 2.21929E-05 2.35568E-05 2.48796E-05
2.61459E-05 2.73398E-05 2.84463E-05 2.94508E-05 3.03395E-05 3.11004E-05
3.17226E-05 3.21974E-05 3.25177E-05 3.26791E-05 3.26791E-05 3.25177E-05
3.21974E-05 3.17226E-05 3.11004E-05 3.03395E-05 2.94508E-05 2.84463E-05
2.73398E-05 2.61459E-05 2.48796E-05 2.35568E-05 2.21929E-05 2.08036E-05
1.94035E-05 1.80069E-05 1.66267E-05 1.52751E-05 1.39624E-05 1.26980E-05
1.14896E-05 1.03433E-05 9.26392E-06 8.25480E-06 7.31794E-06 6.45410E-06
5.66292E-06 4.94307E-06 4.29240E-06 3.70802E-06 3.18653E-06 2.72409E-06
2.31656E-06 1.95966E-06 1.64901E-06 1.38029E-06 1.14924E-06 9.51780E-07
7.84055E-07 6.42438E-07