File menu

After yon choose the com pn tat ion method and options, you can use Start bog on the file menu to record results, such as total energies, orbital en ergies, dipole m om en Ls, atom ic charges, en Lhalpics of formalion (foritieCNDO, IN DO, MIXDO/3, MNDO, AMI, PM3, ZINDO/1, and ZINDO/S mclh ods), etc. 

Select Open from the File menu and double click on Appendix B Move the cursor to any part of the ethylene model and click on it... 

You can obtain detailed results of calculations by using Start Log on the File menu. The amount of calculational results is controlled by the QuantumPrintLevel. The QuantumPrintLevel can be changed in the CHEM.INI file before you run HyperChem or by a script command after you are running HyperChem. For more details of the log file and information saved in the log file, see the HyperChem Reference marwiaX. 

You can start a new problem by selecting New from the File menu. 

From the File menu, use the New command. An empty untitled window will be displayed. On this window, you can type the model. 

Tbiecalculatorlevelof Mathematica comesintbieformofPalettes,wbiicbiareverybiandytools. Palettes are found under the File menu and there are several of them. If one wants to use a trigonometric function, for example, we can either type in its name or go to the Basic... 

A family data set is a grouping of models and data for a problem (plant or system). To select a family, from the File menu choose Select Database. The Select Family dialog appears with the name of the currently selected family in the title bar. Choose the desired family from the list by double-clicking" the name. A pop-up menu appears from which the following options may be... 

Before you can run a Gaussian job, you must provide the program with the input it needs. The File menu is used to create a new input file or to modify an existing one. 

Select New from Hie File menu to create a new%aussfon input file. 

Select Save File from the File menu. 

Select Exit from the File menu or click on the exit icon with the mouse. 

Create a title, specify terse output with T, and then save the file by selecting Save from the File menu. 

We could now begin executing this job by selecting Exit Run option from the File menu. However, don t do that now. Instead, we ll run this job using a different technique in the next subsection. 

File Menu Opening, Closing and Manipulating Molecules... 

Select Close All (File menu) to remove all molecules fron the screen. 

Open Tutorial B from the Tlitoriar folder (File menu). This brings all the moleeules discussed in the second part of this section onto the screen. 

Select Close All from the File menu to remove all the molecules from the screen. 

Model export The full screen of models needs to be exported. For Spartan and MacSpARTAN Plus, this is done using Export under the File menu, with the selection of Spartan Collection for PC Spartan Plus, this is done using Save As under the File menu. 

First create a new data base using the option "New Database" (File menu) or open a pre-existing data base using the option "Open Database" (File menu). 

On entering the program (by a double click on its icon), the only thing you will see is the menu bar. To begin work, you must bring up on screen the window corresponding to a data base by going to the options "New Database" or "Open Database" File menu). 

Go to the option "Open Database" File menu), which will bring up a dialog box. Locate the file you desire to open and double click on its name or, with the file highlighted in black, click "Open". 

With a data base window on screen, go to the option "New disconnection" (File menu), which will bring up a new window, whose appearance will look like this ... 

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