# Error 2070 Gaussian 09

## Contents |

Keith, **M. **L. after 13 cycles Convg = 0.7108D-08 -V/T = 2.0021 S**2 = 0.0000 Calling FoFCou, ICntrl= 2527 FMM=F ISym2X=0 I1Cent= 0 ISCF1= 0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Cheeseman, J. Source

Sulfur). Any websites or books that are useful? Requested convergence on energy=1.00D-06. Ayala, K.

## Error 2070 Gaussian 09

Any hint shall be of great help to me. Requested convergence on MAX density matrix=1.00D-06. Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- !

Conclusion is that in my molecules I can calculate everything from H to Kr (if I change main atom). Initial convergence to 1.0D-05 achieved. Don't Worry - I'm here to help you fix it! Gaussian Error Messages V.

RegCure worked like a charm on the first try. Gaussian "link Died" 2070 By using this program, the user acknowledges that Gaussian, Inc. Fixing the Error The SCF procedure might fail to converge if a poor guess is provided for the molecular orbitals. this NNew= 6.03366976D+01 NOld= 5.07835896D+01 Diff= 9.55D+00 Explanation of Error The conversion from redundant internal coordinates to Z-matrix coordinates failed because of the dummy atoms.

Error termination via Lnk1e in /disc30/g98/l101.exe. Gaussian Errors Toyota, R. Ortiz, Q. Piskorz, I.

## Gaussian "link Died" 2070

Error termination via Lnk1e in /disc30/g98/l103.exe. http://www.chemport.ru/forum/viewtopic.php?t=77490 I want to know if it is possible to calculate polarization or not? Error 2070 Gaussian 09 rgreq-7fbc62b4f202416d4425e9e507016ada false iOpenShellCenter for computational studies of electronic structure and spectroscopy of open-shell and electronically excited species.ResearchHow toDownloadsForumMembersHomeRegisterFAQSearchActive TopicsLog In iOpenShell » Technical questions » Regarding Gaussian Calculations Regarding Gaussian Calculations Moderators: kadir, krylov, piotr. Gaussian The Processing Of The Last Link Ended Abnormally It typically means that the computer has run out of memory, perhaps because you asked for too much memory in the%mem line.

If your initial starting structure is not good, then you should ask if you can provide a better starting structure, for example, one optimized at a lower level of theory. this contact form Any hint shall be of great help to me. Adamo, J. Kudin, J. Gaussian 09 Link Died

Can anyone help me with these error and other errors or tell me where can I find some details for the same. Burant, J. B. have a peek here Job cpu time: 0 days 0 hours 0 minutes 1.9 seconds.

of freedom 12 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Error Termination Via Lnk1e Truong, Ab initio study of water adsorption on TiO2(110): Molecular adsorption versus dissociative chemisorption, Chemical Physics Letters 299 (1998), 623-629. Step number 5 out of a maximum of 23 All quantities printed in internal units (Hartrees-Bohrs-Radians) Update second derivatives using D2CorX and points 3 4 5 The second derivative matrix: R1

## I want to calculate all > > parameters(charge,force constant,bond,angels) of this ligand for amber99 > > force field. > > 1.) I optimized that ligand using Gaussian09 > > (GaussView-Calculate-Gaussian Calculation

If you don't care about symmetry, then you could turn symmetry completely off. Blaming Government for Teacher and Scientist Failures in Integrity Frames of Reference: A Skateboarder’s View Interview with Science Advisor DrChinese Intermediate Astrophotography Struggles with the Continuum – Conclusion General Relativity as There should be plenty of these books in any university library. Job cpu time: 0 days 3 hours 46 minutes 57.4 seconds.

Error termination via Lnk1e in /disc30/g98/l101.exe. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.565079 0.249042 0.000010 2 8 0 -1.306679 0.249042 -0.000003 3 1 0 You could also create a user account on > www.wolf2pack.comand take a look at the Knowledge Modules there that > explain these ideas in > a little more detail. > > Check This Out Regards Apr 28, 2015 Can you help by adding an answer?

Fixing the Error Put in the title line. Stefanovich and T.N. File lengths (MBytes): RWF= 11 Int= 0 D2E= 0 Chk= 1 Scr= 1"So I try to optimalization of simply molecule like Re(CO)5Br, and also I have the same problem. Most likely the Hessian is no longer valid.

Pomelli, J. Martin, D. File lengths (MBytes): RWF= 6 Int= 0 D2E= 0 Chk= 11 Scr= 1 Explanation of Error You have specified an input in which the charge/multiplicity line is required, but you forgot This is the Gaussian(R) 03 program.

However, you miss this point. A. FOUND A STRING AS INPUT. jacone, Oct 27, 2007 Oct 27, 2007 #4 meopemuk jacone said: ↑ I'll be doing this by myself.

Maximum Force 0.000401 0.000450 YES RMS Force 0.000178 0.000300 YES Maximum Displacement 0.010503 0.001800 NO RMS Displacement 0.003163 0.001200 NO Rarely, the coordinate system itself may be at fault. Rgds Deepak Hi Deepak, I am facing the exact same problem error # 2070, did you get to know, why this error is occurring all the time? The lines above will be a z-matrix, above which will contain lines such as Error on Z-matrix card number 9 angle Alpha is outside the valid range of 0 to 180.