Moltran screenshots

EXAMPLE 1. SiF3OH mol­e­cule in stan­dard ori­en­ta­tion of Gaus­sian98. Per­spec­tive view with coor­di­nate axes and cal­cu­lat­ed vibra­tions. A valence angle is mea­sured.

Here are the files cre­at­ing this image: Moltran-Sample1.txt (g98 out­put data file) and Moltran-Sample1.bat (com­mand file run­ning Moltran). Down­load these files to any direc­to­ry and run the BAT-file (Moltran should be already installed on your sys­tem). Once a pic­ture appeared, use P, I, X, and + keys to show per­spec­tive, atom iden­ti­fiers, coor­di­nate axes and zoom in the view. Use arrow keys to rotate the mol­e­cule as shown at the screen­shot. Fin­ish the view­ing with F10 or Q key. After final­iz­ing, please find the ther­mo­dy­nam­ic cal­cu­la­tions results at the Moltran out­put fileMoltran-Sample1.log auto­mat­i­cal­ly cre­at­ed in the same direc­to­ry.

EXAMPLE 2. SO2 mol­e­cule on the ice Ih sur­face mod­eled by (H2O)29 clus­ter. Sim­ple pro­jec­tion view, atom sym­bols are hid­den. A bond length is mea­sured.

EXAMPLE 3. Ta(C5H5)(H)(PMe3)(NMe3)SiClMe2 com­plex with non-clas­si­cal hydride bond. The hap­to–bonds are con­nect­ed man­u­al­ly. A tor­sion angle is mea­sured.