MOLECULE pyridine1 at 0.0 0.0 0.0 Charge 0 Echo No Hessian format SAPT2006 MO-file vectA-daTZ.data Format BINARY IP 0.500000 a.u. Basis Main Spherical Units Bohr Format GAMESS Type MC H1 1.0 -3.87454677 2.40829326 0.00000000 TYPE H1 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/H --- H2 1.0 -4.05745524 -2.27382980 0.00000000 TYPE H2 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/H --- H3 1.0 0.00000000 -4.70080300 0.00000000 TYPE H3 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/H --- ... C5 6.0 2.14372406 1.30476509 0.00000000 TYPE C1 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/C --- End Basis Aux Spherical Units Bohr Format TURBOMOLE Type DC H1 1.0 -3.87454677 2.40829326 0.00000000 TYPE H1 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H2 1.0 -4.05745524 -2.27382980 0.00000000 TYPE H2 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H3 1.0 0.00000000 -4.70080300 0.00000000 TYPE H3 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- ... C5 6.0 2.14372406 1.30476509 0.00000000 TYPE C1 Limit G MIN-S-EXP = 0.0 #include-camcasp basis/auxiliary/aug-cc-pVTZ/C --- H1 1.0 -3.87454677 2.40829326 0.00000000 TYPE H1 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H2 1.0 -4.05745524 -2.27382980 0.00000000 TYPE H2 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H3 1.0 0.00000000 -4.70080300 0.00000000 TYPE H3 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- ... C5 6.0 2.14372406 1.30476509 0.00000000 TYPE C1 Limit G MIN-S-EXP = 0.0 #include-camcasp basis/auxiliary/aug-cc-pVTZ/C --- End END MOLECULE pyridine2 at 0.0 0.0 0.0 Charge 0 Echo No Hessian format SAPT2006 MO-file vectA-daTZ.data Format BINARY IP 0.500000 a.u. Basis Main Spherical Units Bohr Format GAMESS Type MC H1 1.0 -3.87454677 2.40829326 0.00000000 TYPE H1 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/H --- H2 1.0 -4.05745524 -2.27382980 0.00000000 TYPE H2 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/H --- H3 1.0 0.00000000 -4.70080300 0.00000000 TYPE H3 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/H ... --- C5 6.0 2.14372406 1.30476509 0.00000000 TYPE C1 #include-camcasp basis/gamess_us/d-aug-cc-pVTZ/C --- End Basis Aux Spherical Units Bohr Format TURBOMOLE Type DC H1 1.0 -3.87454677 2.40829326 0.00000000 TYPE H1 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H2 1.0 -4.05745524 -2.27382980 0.00000000 TYPE H2 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H3 1.0 0.00000000 -4.70080300 0.00000000 TYPE H3 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- ... C5 6.0 2.14372406 1.30476509 0.00000000 TYPE C1 Limit G MIN-S-EXP = 0.0 #include-camcasp basis/auxiliary/aug-cc-pVTZ/C --- H1 1.0 -3.87454677 2.40829326 0.00000000 TYPE H1 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H2 1.0 -4.05745524 -2.27382980 0.00000000 TYPE H2 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- H3 1.0 0.00000000 -4.70080300 0.00000000 TYPE H3 Limit G MIN-S-EXP = 0.000 #include-camcasp basis/auxiliary/aug-cc-pVTZ/H --- ... C5 6.0 2.14372406 1.30476509 0.00000000 TYPE C1 Limit G MIN-S-EXP = 0.0 #include-camcasp basis/auxiliary/aug-cc-pVTZ/C --- End END