biphenyl_rotation.zip
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biphenyl_rotation
02_data_B97-3c_sp
biphenyl_b97-3c_sp.000.molden.input
1.7 MB
biphenyl_b97-3c_sp.005.molden.input
1.7 MB
biphenyl_b97-3c_sp.010.molden.input
1.7 MB
biphenyl_b97-3c_sp.015.molden.input
1.7 MB
biphenyl_b97-3c_sp.020.molden.input
1.7 MB
biphenyl_b97-3c_sp.025.molden.input
1.7 MB
biphenyl_b97-3c_sp.030.molden.input
1.7 MB
biphenyl_b97-3c_sp.035.molden.input
1.7 MB
biphenyl_b97-3c_sp.040.molden.input
1.7 MB
biphenyl_b97-3c_sp.045.molden.input
1.7 MB
biphenyl_b97-3c_sp.050.molden.input
1.7 MB
biphenyl_b97-3c_sp.055.molden.input
1.7 MB
biphenyl_b97-3c_sp.060.molden.input
1.7 MB
biphenyl_b97-3c_sp.065.molden.input
1.7 MB
biphenyl_b97-3c_sp.070.molden.input
1.7 MB
biphenyl_b97-3c_sp.075.molden.input
1.7 MB
biphenyl_b97-3c_sp.080.molden.input
1.7 MB
biphenyl_b97-3c_sp.085.molden.input
1.7 MB
biphenyl_b97-3c_sp.090.molden.input
1.7 MB
biphenyl_b97-3c_sp.095.molden.input
1.7 MB
biphenyl_b97-3c_sp.100.molden.input
1.7 MB
biphenyl_b97-3c_sp.105.molden.input
1.7 MB
biphenyl_b97-3c_sp.110.molden.input
1.7 MB
biphenyl_b97-3c_sp.115.molden.input
1.7 MB
biphenyl_b97-3c_sp.120.molden.input
1.7 MB
biphenyl_b97-3c_sp.125.molden.input
1.7 MB
biphenyl_b97-3c_sp.130.molden.input
1.7 MB
biphenyl_b97-3c_sp.135.molden.input
1.7 MB
biphenyl_b97-3c_sp.140.molden.input
1.7 MB
biphenyl_b97-3c_sp.145.molden.input
1.7 MB
biphenyl_b97-3c_sp.150.molden.input
1.7 MB
biphenyl_b97-3c_sp.155.molden.input
1.7 MB
biphenyl_b97-3c_sp.160.molden.input
1.7 MB
biphenyl_b97-3c_sp.165.molden.input
1.7 MB
biphenyl_b97-3c_sp.170.molden.input
1.7 MB
biphenyl_b97-3c_sp.175.molden.input
1.7 MB
biphenyl_b97-3c_sp.180.molden.input
1.7 MB
hcm_dens
CPs_rho_B97-3c_000.xyz
2.5 kB
CPs_rho_B97-3c_005.xyz
2.5 kB
CPs_rho_B97-3c_010.xyz
2.5 kB
CPs_rho_B97-3c_015.xyz
2.5 kB
CPs_rho_B97-3c_020.xyz
2.5 kB
CPs_rho_B97-3c_025.xyz
2.3 kB
CPs_rho_B97-3c_030.xyz
2.3 kB
CPs_rho_B97-3c_035.xyz
2.3 kB
CPs_rho_B97-3c_040.xyz
2.3 kB
CPs_rho_B97-3c_045.xyz
2.3 kB
CPs_rho_B97-3c_050.xyz
2.3 kB
CPs_rho_B97-3c_055.xyz
2.3 kB
CPs_rho_B97-3c_060.xyz
2.3 kB
CPs_rho_B97-3c_065.xyz
2.3 kB
CPs_rho_B97-3c_070.xyz
2.3 kB
CPs_rho_B97-3c_075.xyz
2.3 kB
CPs_rho_B97-3c_080.xyz
2.3 kB
CPs_rho_B97-3c_085.xyz
2.3 kB
CPs_rho_B97-3c_090.xyz
2.3 kB
CPs_rho_B97-3c_095.xyz
2.3 kB
CPs_rho_B97-3c_100.xyz
2.3 kB
CPs_rho_B97-3c_105.xyz
2.3 kB
CPs_rho_B97-3c_110.xyz
2.3 kB
CPs_rho_B97-3c_115.xyz
2.3 kB
CPs_rho_B97-3c_120.xyz
2.3 kB
CPs_rho_B97-3c_125.xyz
2.3 kB
CPs_rho_B97-3c_130.xyz
2.3 kB
CPs_rho_B97-3c_135.xyz
2.3 kB
CPs_rho_B97-3c_140.xyz
2.3 kB
CPs_rho_B97-3c_145.xyz
2.3 kB
CPs_rho_B97-3c_150.xyz
2.3 kB
CPs_rho_B97-3c_155.xyz
2.3 kB
CPs_rho_B97-3c_160.xyz
2.5 kB
CPs_rho_B97-3c_165.xyz
2.5 kB
CPs_rho_B97-3c_170.xyz
2.5 kB
CPs_rho_B97-3c_175.xyz
2.5 kB
CPs_rho_B97-3c_180.xyz
2.5 kB
hcm_dens_biphenyl.dat
841 Bytes
hcm_homo
CPs_homo_B97-3c_000.xyz
2.8 kB
CPs_homo_B97-3c_005.xyz
2.5 kB
CPs_homo_B97-3c_010.xyz
2.5 kB
CPs_homo_B97-3c_015.xyz
2.5 kB
CPs_homo_B97-3c_020.xyz
2.5 kB
CPs_homo_B97-3c_025.xyz
2.5 kB
CPs_homo_B97-3c_030.xyz
2.5 kB
CPs_homo_B97-3c_035.xyz
2.5 kB
CPs_homo_B97-3c_040.xyz
2.5 kB
CPs_homo_B97-3c_045.xyz
2.5 kB
CPs_homo_B97-3c_050.xyz
2.5 kB
CPs_homo_B97-3c_055.xyz
2.9 kB
CPs_homo_B97-3c_060.xyz
2.9 kB
CPs_homo_B97-3c_065.xyz
2.9 kB
CPs_homo_B97-3c_070.xyz
2.9 kB
CPs_homo_B97-3c_075.xyz
2.9 kB
CPs_homo_B97-3c_080.xyz
3.1 kB
CPs_homo_B97-3c_085.xyz
3.3 kB
CPs_homo_B97-3c_090.xyz
3.1 kB
CPs_homo_B97-3c_095.xyz
3.3 kB
CPs_homo_B97-3c_100.xyz
3.1 kB
CPs_homo_B97-3c_105.xyz
2.9 kB
CPs_homo_B97-3c_110.xyz
2.9 kB
CPs_homo_B97-3c_115.xyz
2.9 kB
CPs_homo_B97-3c_120.xyz
2.9 kB
CPs_homo_B97-3c_125.xyz
2.9 kB
CPs_homo_B97-3c_130.xyz
2.5 kB
CPs_homo_B97-3c_135.xyz
2.5 kB
CPs_homo_B97-3c_140.xyz
2.5 kB
CPs_homo_B97-3c_145.xyz
2.5 kB
CPs_homo_B97-3c_150.xyz
2.5 kB
CPs_homo_B97-3c_155.xyz
2.5 kB
CPs_homo_B97-3c_160.xyz
2.5 kB
CPs_homo_B97-3c_165.xyz
2.5 kB
CPs_homo_B97-3c_170.xyz
2.5 kB
CPs_homo_B97-3c_175.xyz
2.5 kB
CPs_homo_B97-3c_180.xyz
2.8 kB
hcm_homo_biphenyl.dat
841 Bytes
hcm_lumo
CPs_lumo_B97-3c_000.xyz
3.1 kB
CPs_lumo_B97-3c_005.xyz
3.3 kB
CPs_lumo_B97-3c_010.xyz
3.3 kB
CPs_lumo_B97-3c_015.xyz
3.3 kB
CPs_lumo_B97-3c_020.xyz
3.3 kB
CPs_lumo_B97-3c_025.xyz
3.1 kB
CPs_lumo_B97-3c_030.xyz
3.4 kB
CPs_lumo_B97-3c_035.xyz
3.4 kB
CPs_lumo_B97-3c_040.xyz
3.4 kB
CPs_lumo_B97-3c_045.xyz
3.4 kB
CPs_lumo_B97-3c_050.xyz
3.4 kB
CPs_lumo_B97-3c_055.xyz
3.4 kB
CPs_lumo_B97-3c_060.xyz
3.4 kB
CPs_lumo_B97-3c_065.xyz
3.4 kB
CPs_lumo_B97-3c_070.xyz
3.5 kB
CPs_lumo_B97-3c_075.xyz
3.1 kB
CPs_lumo_B97-3c_080.xyz
3.1 kB
CPs_lumo_B97-3c_085.xyz
3.1 kB
CPs_lumo_B97-3c_090.xyz
2.9 kB
CPs_lumo_B97-3c_095.xyz
3.1 kB
CPs_lumo_B97-3c_100.xyz
3.1 kB
CPs_lumo_B97-3c_105.xyz
3.1 kB
CPs_lumo_B97-3c_110.xyz
3.5 kB
CPs_lumo_B97-3c_115.xyz
3.4 kB
CPs_lumo_B97-3c_120.xyz
3.4 kB
CPs_lumo_B97-3c_125.xyz
3.4 kB
CPs_lumo_B97-3c_130.xyz
3.4 kB
CPs_lumo_B97-3c_135.xyz
3.4 kB
CPs_lumo_B97-3c_140.xyz
3.4 kB
CPs_lumo_B97-3c_145.xyz
3.4 kB
CPs_lumo_B97-3c_150.xyz
3.4 kB
CPs_lumo_B97-3c_155.xyz
3.1 kB
CPs_lumo_B97-3c_160.xyz
3.3 kB
CPs_lumo_B97-3c_165.xyz
3.3 kB
CPs_lumo_B97-3c_170.xyz
3.3 kB
CPs_lumo_B97-3c_175.xyz
3.3 kB
CPs_lumo_B97-3c_180.xyz
2.9 kB
hcm_lumo_biphenyl.dat
841 Bytes
03_data_GGA-TZ_sp
biphenyl_GGA-TZ_sp.000.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.005.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.010.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.015.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.020.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.025.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.030.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.035.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.040.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.045.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.050.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.055.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.060.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.065.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.070.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.075.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.080.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.085.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.090.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.095.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.100.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.105.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.110.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.115.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.120.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.125.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.130.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.135.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.140.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.145.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.150.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.155.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.160.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.165.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.170.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.175.molden.input
4.7 MB
biphenyl_GGA-TZ_sp.180.molden.input
4.7 MB
hcm_dens
CPs_rho_GGA-TZ_000.xyz
2.5 kB
CPs_rho_GGA-TZ_005.xyz
2.5 kB
CPs_rho_GGA-TZ_010.xyz
2.5 kB
CPs_rho_GGA-TZ_015.xyz
2.5 kB
CPs_rho_GGA-TZ_020.xyz
2.5 kB
CPs_rho_GGA-TZ_025.xyz
2.3 kB
CPs_rho_GGA-TZ_030.xyz
2.3 kB
CPs_rho_GGA-TZ_035.xyz
2.3 kB
CPs_rho_GGA-TZ_040.xyz
2.3 kB
CPs_rho_GGA-TZ_045.xyz
2.3 kB
CPs_rho_GGA-TZ_050.xyz
2.3 kB
CPs_rho_GGA-TZ_055.xyz
2.3 kB
CPs_rho_GGA-TZ_060.xyz
2.3 kB
CPs_rho_GGA-TZ_065.xyz
2.3 kB
CPs_rho_GGA-TZ_070.xyz
2.3 kB
CPs_rho_GGA-TZ_075.xyz
2.3 kB
CPs_rho_GGA-TZ_080.xyz
2.3 kB
CPs_rho_GGA-TZ_085.xyz
2.3 kB
CPs_rho_GGA-TZ_090.xyz
2.3 kB
CPs_rho_GGA-TZ_095.xyz
2.3 kB
CPs_rho_GGA-TZ_100.xyz
2.3 kB
CPs_rho_GGA-TZ_105.xyz
2.3 kB
CPs_rho_GGA-TZ_110.xyz
2.3 kB
CPs_rho_GGA-TZ_115.xyz
2.3 kB
CPs_rho_GGA-TZ_120.xyz
2.3 kB
CPs_rho_GGA-TZ_125.xyz
2.3 kB
CPs_rho_GGA-TZ_130.xyz
2.3 kB
CPs_rho_GGA-TZ_135.xyz
2.3 kB
CPs_rho_GGA-TZ_140.xyz
2.3 kB
CPs_rho_GGA-TZ_145.xyz
2.3 kB
CPs_rho_GGA-TZ_150.xyz
2.3 kB
CPs_rho_GGA-TZ_155.xyz
2.3 kB
CPs_rho_GGA-TZ_160.xyz
2.5 kB
CPs_rho_GGA-TZ_165.xyz
2.5 kB
CPs_rho_GGA-TZ_170.xyz
2.5 kB
CPs_rho_GGA-TZ_175.xyz
2.5 kB
CPs_rho_GGA-TZ_180.xyz
2.5 kB
hcm_dens_biphenyl.dat
841 Bytes
hcm_homo
CPs_homo_GGA-TZ_000.xyz
3.0 kB
CPs_homo_GGA-TZ_005.xyz
2.5 kB
CPs_homo_GGA-TZ_010.xyz
2.5 kB
CPs_homo_GGA-TZ_015.xyz
2.5 kB
CPs_homo_GGA-TZ_020.xyz
2.5 kB
CPs_homo_GGA-TZ_025.xyz
2.5 kB
CPs_homo_GGA-TZ_030.xyz
2.5 kB
CPs_homo_GGA-TZ_035.xyz
2.5 kB
CPs_homo_GGA-TZ_040.xyz
2.5 kB
CPs_homo_GGA-TZ_045.xyz
2.5 kB
CPs_homo_GGA-TZ_050.xyz
2.5 kB
CPs_homo_GGA-TZ_055.xyz
2.5 kB
CPs_homo_GGA-TZ_060.xyz
2.5 kB
CPs_homo_GGA-TZ_065.xyz
2.5 kB
CPs_homo_GGA-TZ_070.xyz
2.5 kB
CPs_homo_GGA-TZ_075.xyz
2.8 kB
CPs_homo_GGA-TZ_080.xyz
3.1 kB
CPs_homo_GGA-TZ_085.xyz
3.1 kB
CPs_homo_GGA-TZ_090.xyz
2.4 kB
CPs_homo_GGA-TZ_095.xyz
3.1 kB
CPs_homo_GGA-TZ_100.xyz
3.1 kB
CPs_homo_GGA-TZ_105.xyz
2.9 kB
CPs_homo_GGA-TZ_110.xyz
2.5 kB
CPs_homo_GGA-TZ_115.xyz
2.5 kB
CPs_homo_GGA-TZ_120.xyz
2.5 kB
CPs_homo_GGA-TZ_125.xyz
2.5 kB
CPs_homo_GGA-TZ_130.xyz
2.5 kB
CPs_homo_GGA-TZ_135.xyz
2.5 kB
CPs_homo_GGA-TZ_140.xyz
2.5 kB
CPs_homo_GGA-TZ_145.xyz
2.5 kB
CPs_homo_GGA-TZ_150.xyz
2.5 kB
CPs_homo_GGA-TZ_155.xyz
2.5 kB
CPs_homo_GGA-TZ_160.xyz
2.5 kB
CPs_homo_GGA-TZ_165.xyz
2.5 kB
CPs_homo_GGA-TZ_170.xyz
2.5 kB
CPs_homo_GGA-TZ_175.xyz
2.5 kB
CPs_homo_GGA-TZ_180.xyz
2.8 kB
hcm_homo_biphenyl.dat
841 Bytes
hcm_lumo
CPs_lumo_GGA-TZ_000.xyz
3.3 kB
CPs_lumo_GGA-TZ_005.xyz
3.3 kB
CPs_lumo_GGA-TZ_010.xyz
3.3 kB
CPs_lumo_GGA-TZ_015.xyz
3.3 kB
CPs_lumo_GGA-TZ_020.xyz
3.3 kB
CPs_lumo_GGA-TZ_025.xyz
3.1 kB
CPs_lumo_GGA-TZ_030.xyz
3.2 kB
CPs_lumo_GGA-TZ_035.xyz
3.4 kB
CPs_lumo_GGA-TZ_040.xyz
3.4 kB
CPs_lumo_GGA-TZ_045.xyz
3.4 kB
CPs_lumo_GGA-TZ_050.xyz
3.4 kB
CPs_lumo_GGA-TZ_055.xyz
3.4 kB
CPs_lumo_GGA-TZ_060.xyz
3.4 kB
CPs_lumo_GGA-TZ_065.xyz
3.4 kB
CPs_lumo_GGA-TZ_070.xyz
3.5 kB
CPs_lumo_GGA-TZ_075.xyz
3.1 kB
CPs_lumo_GGA-TZ_080.xyz
3.1 kB
CPs_lumo_GGA-TZ_085.xyz
3.1 kB
CPs_lumo_GGA-TZ_090.xyz
2.9 kB
CPs_lumo_GGA-TZ_095.xyz
3.1 kB
CPs_lumo_GGA-TZ_100.xyz
3.1 kB
CPs_lumo_GGA-TZ_105.xyz
3.1 kB
CPs_lumo_GGA-TZ_110.xyz
3.5 kB
CPs_lumo_GGA-TZ_115.xyz
3.4 kB
CPs_lumo_GGA-TZ_120.xyz
3.4 kB
CPs_lumo_GGA-TZ_125.xyz
3.4 kB
CPs_lumo_GGA-TZ_130.xyz
3.4 kB
CPs_lumo_GGA-TZ_135.xyz
3.4 kB
CPs_lumo_GGA-TZ_140.xyz
3.4 kB
CPs_lumo_GGA-TZ_145.xyz
3.4 kB
CPs_lumo_GGA-TZ_150.xyz
3.2 kB
CPs_lumo_GGA-TZ_155.xyz
3.1 kB
CPs_lumo_GGA-TZ_160.xyz
3.3 kB
CPs_lumo_GGA-TZ_165.xyz
3.3 kB
CPs_lumo_GGA-TZ_170.xyz
3.3 kB
CPs_lumo_GGA-TZ_175.xyz
3.3 kB
CPs_lumo_GGA-TZ_180.xyz
3.3 kB
hcm_lumo_biphenyl.dat
841 Bytes
04_data_GGA-QZ_sp
biphenyl_GGA-QZ_sp.000.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.005.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.010.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.015.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.020.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.025.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.030.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.035.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.040.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.045.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.050.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.055.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.060.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.065.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.070.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.075.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.080.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.085.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.090.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.095.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.100.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.105.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.110.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.115.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.120.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.125.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.130.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.135.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.140.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.145.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.150.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.155.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.160.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.165.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.170.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.175.molden.input
24.3 MB
biphenyl_GGA-QZ_sp.180.molden.input
24.3 MB
hcm_dens
CPs_rho_GGA-QZ_000.xyz
2.5 kB
CPs_rho_GGA-QZ_005.xyz
2.5 kB
CPs_rho_GGA-QZ_010.xyz
2.5 kB
CPs_rho_GGA-QZ_015.xyz
2.5 kB
CPs_rho_GGA-QZ_020.xyz
2.5 kB
CPs_rho_GGA-QZ_025.xyz
2.3 kB
CPs_rho_GGA-QZ_030.xyz
2.3 kB
CPs_rho_GGA-QZ_035.xyz
2.3 kB
CPs_rho_GGA-QZ_040.xyz
2.3 kB
CPs_rho_GGA-QZ_045.xyz
2.3 kB
CPs_rho_GGA-QZ_050.xyz
2.3 kB
CPs_rho_GGA-QZ_055.xyz
2.3 kB
CPs_rho_GGA-QZ_060.xyz
2.3 kB
CPs_rho_GGA-QZ_065.xyz
2.3 kB
CPs_rho_GGA-QZ_070.xyz
2.3 kB
CPs_rho_GGA-QZ_075.xyz
2.3 kB
CPs_rho_GGA-QZ_080.xyz
2.3 kB
CPs_rho_GGA-QZ_085.xyz
2.3 kB
CPs_rho_GGA-QZ_090.xyz
2.3 kB
CPs_rho_GGA-QZ_095.xyz
2.3 kB
CPs_rho_GGA-QZ_100.xyz
2.3 kB
CPs_rho_GGA-QZ_105.xyz
2.3 kB
CPs_rho_GGA-QZ_110.xyz
2.3 kB
CPs_rho_GGA-QZ_115.xyz
2.3 kB
CPs_rho_GGA-QZ_120.xyz
2.3 kB
CPs_rho_GGA-QZ_125.xyz
2.3 kB
CPs_rho_GGA-QZ_130.xyz
2.3 kB
CPs_rho_GGA-QZ_135.xyz
2.3 kB
CPs_rho_GGA-QZ_140.xyz
2.3 kB
CPs_rho_GGA-QZ_145.xyz
2.3 kB
CPs_rho_GGA-QZ_150.xyz
2.3 kB
CPs_rho_GGA-QZ_155.xyz
2.3 kB
CPs_rho_GGA-QZ_160.xyz
2.5 kB
CPs_rho_GGA-QZ_165.xyz
2.5 kB
CPs_rho_GGA-QZ_170.xyz
2.5 kB
CPs_rho_GGA-QZ_175.xyz
2.5 kB
CPs_rho_GGA-QZ_180.xyz
2.5 kB
hcm_dens_biphenyl.dat
841 Bytes
hcm_homo
CPs_homo_GGA-QZ_000.xyz
2.8 kB
CPs_homo_GGA-QZ_005.xyz
2.5 kB
CPs_homo_GGA-QZ_010.xyz
2.5 kB
CPs_homo_GGA-QZ_015.xyz
2.5 kB
CPs_homo_GGA-QZ_020.xyz
2.5 kB
CPs_homo_GGA-QZ_025.xyz
2.5 kB
CPs_homo_GGA-QZ_030.xyz
2.5 kB
CPs_homo_GGA-QZ_035.xyz
2.5 kB
CPs_homo_GGA-QZ_040.xyz
2.5 kB
CPs_homo_GGA-QZ_045.xyz
2.5 kB
CPs_homo_GGA-QZ_050.xyz
2.5 kB
CPs_homo_GGA-QZ_055.xyz
2.5 kB
CPs_homo_GGA-QZ_060.xyz
2.5 kB
CPs_homo_GGA-QZ_065.xyz
2.5 kB
CPs_homo_GGA-QZ_070.xyz
2.7 kB
CPs_homo_GGA-QZ_075.xyz
2.9 kB
CPs_homo_GGA-QZ_080.xyz
2.9 kB
CPs_homo_GGA-QZ_085.xyz
2.9 kB
CPs_homo_GGA-QZ_090.xyz
2.4 kB
CPs_homo_GGA-QZ_095.xyz
2.9 kB
CPs_homo_GGA-QZ_100.xyz
2.9 kB
CPs_homo_GGA-QZ_105.xyz
2.9 kB
CPs_homo_GGA-QZ_110.xyz
2.7 kB
CPs_homo_GGA-QZ_115.xyz
2.5 kB
CPs_homo_GGA-QZ_120.xyz
2.5 kB
CPs_homo_GGA-QZ_125.xyz
2.5 kB
CPs_homo_GGA-QZ_130.xyz
2.5 kB
CPs_homo_GGA-QZ_135.xyz
2.5 kB
CPs_homo_GGA-QZ_140.xyz
2.5 kB
CPs_homo_GGA-QZ_145.xyz
2.5 kB
CPs_homo_GGA-QZ_150.xyz
2.5 kB
CPs_homo_GGA-QZ_155.xyz
2.5 kB
CPs_homo_GGA-QZ_160.xyz
2.5 kB
CPs_homo_GGA-QZ_165.xyz
2.5 kB
CPs_homo_GGA-QZ_170.xyz
2.5 kB
CPs_homo_GGA-QZ_175.xyz
2.5 kB
CPs_homo_GGA-QZ_180.xyz
2.7 kB
hcm_homo_biphenyl.dat
841 Bytes
hcm_lumo
CPs_lumo_GGA-QZ_000.xyz
3.2 kB
CPs_lumo_GGA-QZ_005.xyz
3.3 kB
CPs_lumo_GGA-QZ_010.xyz
3.3 kB
CPs_lumo_GGA-QZ_015.xyz
3.3 kB
CPs_lumo_GGA-QZ_020.xyz
3.3 kB
CPs_lumo_GGA-QZ_025.xyz
3.2 kB
CPs_lumo_GGA-QZ_030.xyz
3.2 kB
CPs_lumo_GGA-QZ_035.xyz
3.2 kB
CPs_lumo_GGA-QZ_040.xyz
3.4 kB
CPs_lumo_GGA-QZ_045.xyz
3.4 kB
CPs_lumo_GGA-QZ_050.xyz
3.4 kB
CPs_lumo_GGA-QZ_055.xyz
3.4 kB
CPs_lumo_GGA-QZ_060.xyz
3.4 kB
CPs_lumo_GGA-QZ_065.xyz
3.4 kB
CPs_lumo_GGA-QZ_070.xyz
3.4 kB
CPs_lumo_GGA-QZ_075.xyz
3.2 kB
CPs_lumo_GGA-QZ_080.xyz
3.2 kB
CPs_lumo_GGA-QZ_085.xyz
3.0 kB
CPs_lumo_GGA-QZ_090.xyz
2.9 kB
CPs_lumo_GGA-QZ_095.xyz
3.0 kB
CPs_lumo_GGA-QZ_100.xyz
3.2 kB
CPs_lumo_GGA-QZ_105.xyz
3.2 kB
CPs_lumo_GGA-QZ_110.xyz
3.3 kB
CPs_lumo_GGA-QZ_115.xyz
3.4 kB
CPs_lumo_GGA-QZ_120.xyz
3.4 kB
CPs_lumo_GGA-QZ_125.xyz
3.4 kB
CPs_lumo_GGA-QZ_130.xyz
3.4 kB
CPs_lumo_GGA-QZ_135.xyz
3.4 kB
CPs_lumo_GGA-QZ_140.xyz
3.4 kB
CPs_lumo_GGA-QZ_145.xyz
3.2 kB
CPs_lumo_GGA-QZ_150.xyz
3.2 kB
CPs_lumo_GGA-QZ_155.xyz
3.2 kB
CPs_lumo_GGA-QZ_160.xyz
3.3 kB
CPs_lumo_GGA-QZ_165.xyz
3.3 kB
CPs_lumo_GGA-QZ_170.xyz
3.3 kB
CPs_lumo_GGA-QZ_175.xyz
3.3 kB
CPs_lumo_GGA-QZ_180.xyz
3.0 kB
05_data_hGGA-TZ_sp
biphenyl_hGGA-TZ_sp.000.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.005.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.010.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.015.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.020.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.025.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.030.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.035.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.040.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.045.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.050.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.055.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.060.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.065.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.070.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.075.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.080.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.085.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.090.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.095.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.100.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.105.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.110.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.115.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.120.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.125.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.130.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.135.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.140.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.145.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.150.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.155.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.160.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.165.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.170.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.175.molden.input
4.7 MB
biphenyl_hGGA-TZ_sp.180.molden.input
4.7 MB
hcm_dens
CPs_rho_hGGA-TZ_000.xyz
2.5 kB
CPs_rho_hGGA-TZ_005.xyz
2.5 kB
CPs_rho_hGGA-TZ_010.xyz
2.5 kB
CPs_rho_hGGA-TZ_015.xyz
2.5 kB
CPs_rho_hGGA-TZ_020.xyz
2.5 kB
CPs_rho_hGGA-TZ_025.xyz
2.3 kB
CPs_rho_hGGA-TZ_030.xyz
2.3 kB
CPs_rho_hGGA-TZ_035.xyz
2.3 kB
CPs_rho_hGGA-TZ_040.xyz
2.3 kB
CPs_rho_hGGA-TZ_045.xyz
2.3 kB
CPs_rho_hGGA-TZ_050.xyz
2.3 kB
CPs_rho_hGGA-TZ_055.xyz
2.3 kB
CPs_rho_hGGA-TZ_060.xyz
2.3 kB
CPs_rho_hGGA-TZ_065.xyz
2.3 kB
CPs_rho_hGGA-TZ_070.xyz
2.3 kB
CPs_rho_hGGA-TZ_075.xyz
2.3 kB
CPs_rho_hGGA-TZ_080.xyz
2.3 kB
CPs_rho_hGGA-TZ_085.xyz
2.3 kB
CPs_rho_hGGA-TZ_090.xyz
2.3 kB
CPs_rho_hGGA-TZ_095.xyz
2.3 kB
CPs_rho_hGGA-TZ_100.xyz
2.3 kB
CPs_rho_hGGA-TZ_105.xyz
2.3 kB
CPs_rho_hGGA-TZ_110.xyz
2.3 kB
CPs_rho_hGGA-TZ_115.xyz
2.3 kB
CPs_rho_hGGA-TZ_120.xyz
2.3 kB
CPs_rho_hGGA-TZ_125.xyz
2.3 kB
CPs_rho_hGGA-TZ_130.xyz
2.3 kB
CPs_rho_hGGA-TZ_135.xyz
2.3 kB
CPs_rho_hGGA-TZ_140.xyz
2.3 kB
CPs_rho_hGGA-TZ_145.xyz
2.3 kB
CPs_rho_hGGA-TZ_150.xyz
2.3 kB
CPs_rho_hGGA-TZ_155.xyz
2.3 kB
CPs_rho_hGGA-TZ_160.xyz
2.5 kB
CPs_rho_hGGA-TZ_165.xyz
2.5 kB
CPs_rho_hGGA-TZ_170.xyz
2.5 kB
CPs_rho_hGGA-TZ_175.xyz
2.5 kB
CPs_rho_hGGA-TZ_180.xyz
2.5 kB
hcm_dens_biphenyl.dat
841 Bytes
hcm_homo
CPs_homo_hGGA-TZ_000.xyz
3.7 kB
CPs_homo_hGGA-TZ_005.xyz
2.5 kB
CPs_homo_hGGA-TZ_010.xyz
2.5 kB
CPs_homo_hGGA-TZ_015.xyz
2.5 kB
CPs_homo_hGGA-TZ_020.xyz
2.5 kB
CPs_homo_hGGA-TZ_025.xyz
2.5 kB
CPs_homo_hGGA-TZ_030.xyz
2.5 kB
CPs_homo_hGGA-TZ_035.xyz
2.5 kB
CPs_homo_hGGA-TZ_040.xyz
2.5 kB
CPs_homo_hGGA-TZ_045.xyz
2.5 kB
CPs_homo_hGGA-TZ_050.xyz
2.5 kB
CPs_homo_hGGA-TZ_055.xyz
2.5 kB
CPs_homo_hGGA-TZ_060.xyz
2.5 kB
CPs_homo_hGGA-TZ_065.xyz
2.5 kB
CPs_homo_hGGA-TZ_070.xyz
2.5 kB
CPs_homo_hGGA-TZ_075.xyz
2.4 kB
CPs_homo_hGGA-TZ_080.xyz
3.1 kB
CPs_homo_hGGA-TZ_085.xyz
3.3 kB
CPs_homo_hGGA-TZ_090.xyz
2.4 kB
CPs_homo_hGGA-TZ_095.xyz
3.3 kB
CPs_homo_hGGA-TZ_100.xyz
3.1 kB
CPs_homo_hGGA-TZ_105.xyz
2.5 kB
CPs_homo_hGGA-TZ_110.xyz
2.5 kB
CPs_homo_hGGA-TZ_115.xyz
2.5 kB
CPs_homo_hGGA-TZ_120.xyz
2.5 kB
CPs_homo_hGGA-TZ_125.xyz
2.5 kB
CPs_homo_hGGA-TZ_130.xyz
2.5 kB
CPs_homo_hGGA-TZ_135.xyz
2.5 kB
CPs_homo_hGGA-TZ_140.xyz
2.5 kB
CPs_homo_hGGA-TZ_145.xyz
2.5 kB
CPs_homo_hGGA-TZ_150.xyz
2.5 kB
CPs_homo_hGGA-TZ_155.xyz
2.5 kB
CPs_homo_hGGA-TZ_160.xyz
2.5 kB
CPs_homo_hGGA-TZ_165.xyz
2.5 kB
CPs_homo_hGGA-TZ_170.xyz
2.5 kB
CPs_homo_hGGA-TZ_175.xyz
2.5 kB
CPs_homo_hGGA-TZ_180.xyz
3.5 kB
hcm_homo_biphenyl.dat
841 Bytes
hcm_lumo
CPs_lumo_hGGA-TZ_000.xyz
4.4 kB
CPs_lumo_hGGA-TZ_005.xyz
3.3 kB
CPs_lumo_hGGA-TZ_010.xyz
3.3 kB
CPs_lumo_hGGA-TZ_015.xyz
3.3 kB
CPs_lumo_hGGA-TZ_020.xyz
3.3 kB
CPs_lumo_hGGA-TZ_025.xyz
3.1 kB
CPs_lumo_hGGA-TZ_030.xyz
3.2 kB
CPs_lumo_hGGA-TZ_035.xyz
3.4 kB
CPs_lumo_hGGA-TZ_040.xyz
3.4 kB
CPs_lumo_hGGA-TZ_045.xyz
3.4 kB
CPs_lumo_hGGA-TZ_050.xyz
3.4 kB
CPs_lumo_hGGA-TZ_055.xyz
3.4 kB
CPs_lumo_hGGA-TZ_060.xyz
3.4 kB
CPs_lumo_hGGA-TZ_065.xyz
3.4 kB
CPs_lumo_hGGA-TZ_070.xyz
3.5 kB
CPs_lumo_hGGA-TZ_075.xyz
3.2 kB
CPs_lumo_hGGA-TZ_080.xyz
3.2 kB
CPs_lumo_hGGA-TZ_085.xyz
3.2 kB
CPs_lumo_hGGA-TZ_090.xyz
3.6 kB
CPs_lumo_hGGA-TZ_095.xyz
3.2 kB
CPs_lumo_hGGA-TZ_100.xyz
3.2 kB
CPs_lumo_hGGA-TZ_105.xyz
3.2 kB
CPs_lumo_hGGA-TZ_110.xyz
3.5 kB
CPs_lumo_hGGA-TZ_115.xyz
3.4 kB
CPs_lumo_hGGA-TZ_120.xyz
3.4 kB
CPs_lumo_hGGA-TZ_125.xyz
3.4 kB
CPs_lumo_hGGA-TZ_130.xyz
3.4 kB
CPs_lumo_hGGA-TZ_135.xyz
3.4 kB
CPs_lumo_hGGA-TZ_140.xyz
3.4 kB
CPs_lumo_hGGA-TZ_145.xyz
3.4 kB
CPs_lumo_hGGA-TZ_150.xyz
3.2 kB
CPs_lumo_hGGA-TZ_155.xyz
3.1 kB
CPs_lumo_hGGA-TZ_160.xyz
3.3 kB
CPs_lumo_hGGA-TZ_165.xyz
3.3 kB
CPs_lumo_hGGA-TZ_170.xyz
3.3 kB
CPs_lumo_hGGA-TZ_175.xyz
3.3 kB
CPs_lumo_hGGA-TZ_180.xyz
4.1 kB
hcm_lumo_biphenyl.dat
841 Bytes
06_data_hGGA-QZ_sp
biphenyl_hGGA-QZ_sp.000.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.005.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.010.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.015.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.020.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.025.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.030.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.035.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.040.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.045.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.050.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.055.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.060.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.065.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.070.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.075.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.080.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.085.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.090.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.095.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.100.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.105.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.110.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.115.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.120.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.125.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.130.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.135.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.140.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.145.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.150.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.155.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.160.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.165.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.170.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.175.molden.input
24.3 MB
biphenyl_hGGA-QZ_sp.180.molden.input
24.3 MB
hcm_dens
CPs_rho_hGGA-QZ_000.xyz
2.5 kB
CPs_rho_hGGA-QZ_005.xyz
2.5 kB
CPs_rho_hGGA-QZ_010.xyz
2.5 kB
CPs_rho_hGGA-QZ_015.xyz
2.5 kB
CPs_rho_hGGA-QZ_020.xyz
2.5 kB
CPs_rho_hGGA-QZ_025.xyz
2.3 kB
CPs_rho_hGGA-QZ_030.xyz
2.3 kB
CPs_rho_hGGA-QZ_035.xyz
2.3 kB
CPs_rho_hGGA-QZ_040.xyz
2.3 kB
CPs_rho_hGGA-QZ_045.xyz
2.3 kB
CPs_rho_hGGA-QZ_050.xyz
2.3 kB
CPs_rho_hGGA-QZ_055.xyz
2.3 kB
CPs_rho_hGGA-QZ_060.xyz
2.3 kB
CPs_rho_hGGA-QZ_065.xyz
2.3 kB
CPs_rho_hGGA-QZ_070.xyz
2.3 kB
CPs_rho_hGGA-QZ_075.xyz
2.3 kB
CPs_rho_hGGA-QZ_080.xyz
2.3 kB
CPs_rho_hGGA-QZ_085.xyz
2.3 kB
CPs_rho_hGGA-QZ_090.xyz
2.3 kB
CPs_rho_hGGA-QZ_095.xyz
2.3 kB
CPs_rho_hGGA-QZ_100.xyz
2.3 kB
CPs_rho_hGGA-QZ_105.xyz
2.3 kB
CPs_rho_hGGA-QZ_110.xyz
2.3 kB
CPs_rho_hGGA-QZ_115.xyz
2.3 kB
CPs_rho_hGGA-QZ_120.xyz
2.3 kB
CPs_rho_hGGA-QZ_125.xyz
2.3 kB
CPs_rho_hGGA-QZ_130.xyz
2.3 kB
CPs_rho_hGGA-QZ_135.xyz
2.3 kB
CPs_rho_hGGA-QZ_140.xyz
2.3 kB
CPs_rho_hGGA-QZ_145.xyz
2.3 kB
CPs_rho_hGGA-QZ_150.xyz
2.3 kB
CPs_rho_hGGA-QZ_155.xyz
2.3 kB
CPs_rho_hGGA-QZ_160.xyz
2.5 kB
CPs_rho_hGGA-QZ_165.xyz
2.5 kB
CPs_rho_hGGA-QZ_170.xyz
2.5 kB
CPs_rho_hGGA-QZ_175.xyz
2.5 kB
CPs_rho_hGGA-QZ_180.xyz
2.5 kB
hcm_dens_biphenyl.dat
841 Bytes
hcm_homo
CPs_homo_hGGA-QZ_000.xyz
4.5 kB
CPs_homo_hGGA-QZ_005.xyz
2.5 kB
CPs_homo_hGGA-QZ_010.xyz
2.5 kB
CPs_homo_hGGA-QZ_015.xyz
2.5 kB
CPs_homo_hGGA-QZ_020.xyz
2.5 kB
CPs_homo_hGGA-QZ_025.xyz
2.5 kB
CPs_homo_hGGA-QZ_030.xyz
2.5 kB
CPs_homo_hGGA-QZ_035.xyz
2.5 kB
CPs_homo_hGGA-QZ_040.xyz
2.5 kB
CPs_homo_hGGA-QZ_045.xyz
2.5 kB
CPs_homo_hGGA-QZ_050.xyz
2.5 kB
CPs_homo_hGGA-QZ_055.xyz
2.5 kB
CPs_homo_hGGA-QZ_060.xyz
2.5 kB
CPs_homo_hGGA-QZ_065.xyz
2.5 kB
CPs_homo_hGGA-QZ_070.xyz
2.5 kB
CPs_homo_hGGA-QZ_075.xyz
2.5 kB
CPs_homo_hGGA-QZ_080.xyz
2.9 kB
CPs_homo_hGGA-QZ_085.xyz
3.1 kB
CPs_homo_hGGA-QZ_090.xyz
2.4 kB
CPs_homo_hGGA-QZ_095.xyz
3.1 kB
CPs_homo_hGGA-QZ_100.xyz
2.8 kB
CPs_homo_hGGA-QZ_105.xyz
2.5 kB
CPs_homo_hGGA-QZ_110.xyz
2.5 kB
CPs_homo_hGGA-QZ_115.xyz
2.5 kB
CPs_homo_hGGA-QZ_120.xyz
2.5 kB
CPs_homo_hGGA-QZ_125.xyz
2.5 kB
CPs_homo_hGGA-QZ_130.xyz
2.5 kB
CPs_homo_hGGA-QZ_135.xyz
2.5 kB
CPs_homo_hGGA-QZ_140.xyz
2.5 kB
CPs_homo_hGGA-QZ_145.xyz
2.5 kB
CPs_homo_hGGA-QZ_150.xyz
2.5 kB
CPs_homo_hGGA-QZ_155.xyz
2.5 kB
CPs_homo_hGGA-QZ_160.xyz
2.5 kB
CPs_homo_hGGA-QZ_165.xyz
2.5 kB
CPs_homo_hGGA-QZ_170.xyz
2.5 kB
CPs_homo_hGGA-QZ_175.xyz
2.5 kB
CPs_homo_hGGA-QZ_180.xyz
4.1 kB
hcm_homo_biphenyl.dat
841 Bytes
hcm_lumo
CPs_lumo_hGGA-QZ_000.xyz
5.0 kB
CPs_lumo_hGGA-QZ_005.xyz
3.3 kB
CPs_lumo_hGGA-QZ_010.xyz
3.3 kB
CPs_lumo_hGGA-QZ_015.xyz
3.3 kB
CPs_lumo_hGGA-QZ_020.xyz
3.3 kB
CPs_lumo_hGGA-QZ_025.xyz
3.2 kB
CPs_lumo_hGGA-QZ_030.xyz
3.2 kB
CPs_lumo_hGGA-QZ_035.xyz
3.2 kB
CPs_lumo_hGGA-QZ_040.xyz
3.4 kB
CPs_lumo_hGGA-QZ_045.xyz
3.4 kB
CPs_lumo_hGGA-QZ_050.xyz
3.4 kB
CPs_lumo_hGGA-QZ_055.xyz
3.4 kB
CPs_lumo_hGGA-QZ_060.xyz
3.4 kB
CPs_lumo_hGGA-QZ_065.xyz
3.4 kB
CPs_lumo_hGGA-QZ_070.xyz
3.4 kB
CPs_lumo_hGGA-QZ_075.xyz
3.1 kB
CPs_lumo_hGGA-QZ_080.xyz
3.1 kB
CPs_lumo_hGGA-QZ_085.xyz
3.1 kB
CPs_lumo_hGGA-QZ_090.xyz
4.2 kB
CPs_lumo_hGGA-QZ_095.xyz
3.1 kB
CPs_lumo_hGGA-QZ_100.xyz
3.1 kB
CPs_lumo_hGGA-QZ_105.xyz
3.1 kB
CPs_lumo_hGGA-QZ_110.xyz
3.4 kB
CPs_lumo_hGGA-QZ_115.xyz
3.4 kB
CPs_lumo_hGGA-QZ_120.xyz
3.4 kB
CPs_lumo_hGGA-QZ_125.xyz
3.4 kB
CPs_lumo_hGGA-QZ_130.xyz
3.4 kB
CPs_lumo_hGGA-QZ_135.xyz
3.4 kB
CPs_lumo_hGGA-QZ_140.xyz
3.4 kB
CPs_lumo_hGGA-QZ_145.xyz
3.2 kB
CPs_lumo_hGGA-QZ_150.xyz
3.2 kB
CPs_lumo_hGGA-QZ_155.xyz
3.2 kB
CPs_lumo_hGGA-QZ_160.xyz
3.3 kB
CPs_lumo_hGGA-QZ_165.xyz
3.3 kB
CPs_lumo_hGGA-QZ_170.xyz
3.3 kB
CPs_lumo_hGGA-QZ_175.xyz
3.3 kB
CPs_lumo_hGGA-QZ_180.xyz
4.7 kB
hcm_lumo_biphenyl.dat
841 Bytes
07_data_RS-hGGA-TZ_sp
biphenyl_RS-hGGA-TZ_sp.000.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.005.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.010.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.015.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.020.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.025.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.030.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.035.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.040.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.045.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.050.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.055.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.060.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.065.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.070.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.075.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.080.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.085.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.090.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.095.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.100.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.105.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.110.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.115.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.120.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.125.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.130.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.135.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.140.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.145.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.150.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.155.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.160.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.165.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.170.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.175.molden.input
4.7 MB
biphenyl_RS-hGGA-TZ_sp.180.molden.input
4.7 MB
hcm_dens
CPs_rho_RS-hGGA-TZ_000.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_005.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_010.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_015.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_020.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_025.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_030.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_035.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_040.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_045.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_050.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_055.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_060.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_065.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_070.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_075.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_080.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_085.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_090.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_095.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_100.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_105.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_110.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_115.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_120.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_125.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_130.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_135.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_140.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_145.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_150.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_155.xyz
2.3 kB
CPs_rho_RS-hGGA-TZ_160.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_165.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_170.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_175.xyz
2.5 kB
CPs_rho_RS-hGGA-TZ_180.xyz
2.5 kB
hcm_dens_biphenyl.dat
841 Bytes
hcm_homo
CPs_homo_RS-hGGA-TZ_000.xyz
3.7 kB
CPs_homo_RS-hGGA-TZ_005.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_010.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_015.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_020.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_025.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_030.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_035.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_040.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_045.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_050.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_055.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_060.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_065.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_070.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_075.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_080.xyz
2.7 kB
CPs_homo_RS-hGGA-TZ_085.xyz
3.1 kB
CPs_homo_RS-hGGA-TZ_090.xyz
2.4 kB
CPs_homo_RS-hGGA-TZ_095.xyz
3.1 kB
CPs_homo_RS-hGGA-TZ_100.xyz
2.7 kB
CPs_homo_RS-hGGA-TZ_105.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_110.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_115.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_120.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_125.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_130.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_135.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_140.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_145.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_150.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_155.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_160.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_165.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_170.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_175.xyz
2.5 kB
CPs_homo_RS-hGGA-TZ_180.xyz
3.6 kB
hcm_homo_biphenyl.dat
841 Bytes
hcm_lumo
CPs_lumo_RS-hGGA-TZ_000.xyz
4.3 kB
CPs_lumo_RS-hGGA-TZ_005.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_010.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_015.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_020.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_025.xyz
3.1 kB
CPs_lumo_RS-hGGA-TZ_030.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_035.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_040.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_045.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_050.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_055.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_060.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_065.xyz
3.5 kB
CPs_lumo_RS-hGGA-TZ_070.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_075.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_080.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_085.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_090.xyz
3.7 kB
CPs_lumo_RS-hGGA-TZ_095.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_100.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_105.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_110.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_115.xyz
3.5 kB
CPs_lumo_RS-hGGA-TZ_120.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_125.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_130.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_135.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_140.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_145.xyz
3.4 kB
CPs_lumo_RS-hGGA-TZ_150.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_155.xyz
3.1 kB
CPs_lumo_RS-hGGA-TZ_160.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_165.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_170.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_175.xyz
3.3 kB
CPs_lumo_RS-hGGA-TZ_180.xyz
4.2 kB
hcm_lumo_biphenyl.dat
841 Bytes
08_data_RS-hGGA-QZ_sp
biphenyl_RS-hGGA-QZ_sp.000.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.040.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.045.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.070.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.080.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.085.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.090.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.100.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.110.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.115.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.125.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.130.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.140.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.160.molden.input
24.3 MB
biphenyl_RS-hGGA-QZ_sp.170.molden.input
24.3 MB
hcm_homo
CPs_homo_RS-hGGA-QZ_000.xyz
4.4 kB
CPs_homo_RS-hGGA-QZ_005.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_015.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_050.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_060.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_065.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_070.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_085.xyz
2.8 kB
CPs_homo_RS-hGGA-QZ_090.xyz
2.4 kB
CPs_homo_RS-hGGA-QZ_115.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_120.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_125.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_150.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_160.xyz
2.5 kB
CPs_homo_RS-hGGA-QZ_165.xyz
2.5 kB
hcm_lumo
CPs_lumo_RS-hGGA-QZ_000.xyz
4.9 kB
CPs_lumo_RS-hGGA-QZ_005.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_010.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_015.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_020.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_025.xyz
3.2 kB
CPs_lumo_RS-hGGA-QZ_030.xyz
3.2 kB
CPs_lumo_RS-hGGA-QZ_035.xyz
3.2 kB
CPs_lumo_RS-hGGA-QZ_040.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_045.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_050.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_055.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_060.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_065.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_070.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_075.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_080.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_085.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_090.xyz
4.4 kB
CPs_lumo_RS-hGGA-QZ_095.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_100.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_105.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_110.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_115.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_120.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_125.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_130.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_135.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_140.xyz
3.4 kB
CPs_lumo_RS-hGGA-QZ_145.xyz
3.2 kB
CPs_lumo_RS-hGGA-QZ_150.xyz
3.2 kB
CPs_lumo_RS-hGGA-QZ_155.xyz
3.2 kB
CPs_lumo_RS-hGGA-QZ_160.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_165.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_170.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_175.xyz
3.3 kB
CPs_lumo_RS-hGGA-QZ_180.xyz
4.8 kB
hcm_lumo_biphenyl.dat
841 Bytes