Gaussian.09.v7.0.Rev.A.02.Cracked-EAT
NFO
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■ E A T P R E S E N T S ■
Gaussian.09.v7.0.Rev.A.02.Cracked-EAT
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░██ ▒ SUPPLIER ....: TEAM EAT ▒ ██░
▐█▌ ▒ PROG TYPE ...: SCIENTIFIC ▒ ▐█▌
██ ░ LANGUAGE ....: ENGLISH ░ ██
█▌ RELEASE DATE.: 2012-01-08 ▐█
█ ░ ░ █
█ ░ CRACKER ......: TEAM EAT ░ █
█ PROTECTION ...: SERIAL █
█ DIFFICULTY ...: GUESS! █
█ █
█ PACKAGER ....: TEAM EAT █
█ FORMAT ......: ZIP/RAR █
█ ARCHIVE NAME.: eatg0901.zip █
█ No OF DISKS .: [XX/40] █
█ █
█ REQUIREMENTS .: WinXP/Vista/Win7 █
█ PRICE ........: $4,500.00 █
█ WEBSITE.......: http://www.gaussian.com/g_prod/g09.htm █
█ █
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█ █
█ Gaussian 09 is the latest version of the Gaussian █
█ series of electronic structure programs, used by █
█ chemists, chemical engineers, biochemists, █
█ physicists and other scientists worldwide. Starting █
█ from the fundamental laws of quantum mechanics, █
█ Gaussian 09 predicts the energies, molecular █
█ structures, vibrational frequencies and molecular █
█ properties of molecules and reactions in a wide █
█ variety of chemical environments. Gaussian 09's █
█ models can be applied to both stable species and █
█ compounds which are difficult or impossible to █
█ observe experimentally (e.g., short-lived █
█ intermediates and transition structures). █
█ █
█ Gaussian 09 provides the most advanced modeling █
█ capabilities available today, and it includes many █
█ new features and enhancements which significantly █
█ expand the range of problems and systems which can █
█ be studied. With Gaussian 09, you can model larger █
█ systems and more complex problems than ever before, █
█ even on modest computer hardware. █
█ █
█ █
█ What sets Gaussian 09 apart from other programs? █
█ █
█ * Gaussian 09 produces accurate, reliable and █
█ complete models without cutting corners. █
█ * A wide variety of methods makes Gaussian 09 █
█ applicable to the full range of chemical █
█ conditions and problem sizes and across the entire █
█ periodic table. █
█ * Gaussian 09 provides state-of-the-art performance █
█ in single CPU, multiprocessor/multicore and █
█ cluster/network computing environments. █
█ * Setting up calculations is simple and █
█ straightforward, and even complex techniques are █
█ fully automated. The flexible, easy-to-use options █
█ give you complete control over calculation details █
█ when needed. █
█ * Results from all calculation types are presented █
█ in natural and intuitive graphical form by █
█ GaussView 5. █
█ █
█ █
█ What is unique about Gaussian 09's ONIOM features? █
█ █
█ * Many programs now include some version of MO:MM █
█ models. However, Gaussian 09's ONIOM facility is █
█ far more advanced in many important ways: █
█ * It is a general facility allowing you to use any █
█ method for any layer, supporting both MO:MM and █
█ MO:MO models. Gaussian 09's new implementations of █
█ semi-empirical methods including analytic █
█ frequencies are also available to ONIOM █
█ calculations. Two and three layer ONIOM █
█ calculations are supported by all features. █
█ * ONIOM is an integral part of Gaussian 09. All █
█ molecular properties are supported for ONIOM █
█ calculations. Excited states and molecules and █
█ reactions in solution are supported in addition to █
█ ground state, gas phase systems. █
█ * Energies, optimizations and efficient analytic █
█ frequencies are provided. Also, true IRC █
█ calculations can be performed (rather than mere █
█ "coordinate driving"). These capabilities allow █
█ you to characterize stationary points and explore █
█ potential energy surfaces even for very large █
█ molecules and with electronic embedding. █
█ Wavefunction stability testing and optimization █
█ are also supported. █
█ * Different initial guesses can be specified for █
█ each ONIOM layer, including retrieving results █
█ from previous jobs. █
█ * The implementation in Gaussian 09 is efficient and █
█ reliable. █
█ █
█ █
█ Gaussian 09 features at a glance █
█ █
█ Fundamental Algorithms █
█ * Calculation of 1- & 2-electron integrals over any █
█ contracted gaussian functions █
█ * Conventional, direct, semi-direct and in-core █
█ algorithms █
█ * Linearized computational cost via automated fast █
█ multipole methods (FMM) and sparse matrix █
█ techniques █
█ * Network/cluster and shared memory (SMP) █
█ parallelism █
█ * Harris initial guess (much more accurate, █
█ especially for metals) █
█ * Initial guess generated from fragment guesses or █
█ fragment SCF solutions █
█ * Density fitting and Coulomb engine for pure DFT █
█ calculations, including automated generation of █
█ fitting basis sets █
█ * O(N) exact exchange for HF and hybrid DFT █
█ * 1D, 2D, 3D periodic boundary conditions (PBC) █
█ energies & gradients (HF & DFT) █
█ █
█ Model Chemistries █
█ * Molecular Mechanics: Amber, DREIDING and UFF █
█ energies, gradients, and frequencies; standalone █
█ MM program; custom force fields █
█ █
█ Ground State Semi-Empirical █
█ * CNDO/2, INDO, MINDO3 and MNDO energies and █
█ gradients █
█ * Newly implemented AM1, PM3, PM3MM, PM6 and PDDG █
█ energies, gradients and analytic freqs., with █
█ custom parameters █
█ * DFTB and DFTBA methods █
█ █
█ Self Consistent Field (SCF) █
█ * SCF restricted and unrestricted energies, █
█ gradients and frequencies, and RO energies and █
█ gradients █
█ * Default EDIIS+CDIIS convergence algorithm and █
█ optional Quadratic Convergent SCF █
█ * Complete Active Space SCF (CASSCF) energies, █
█ gradients & frequencies; active spaces of up to 14 █
█ orbitals (8 for freqs.) █
█ * Restricted Active Space SCF (RASSCF) energies and █
█ gradients █
█ * Generalized Valence Bond-Perfect Pairing energies █
█ and gradients █
█ * Wavefunction stability analysis (HF & DFT) █
█ █
█ Density Functional Theory █
█ * Closed shell and open shell energies, gradients & █
█ frequencies, and RO energies & gradients are █
█ available for all DFT methods. █
█ * Exchange functionals: Slater, Xa, Becke 88, █
█ Perdew-Wang 91, Barone-modified PW91, Gill 96, █
█ OPTX, TPSS, BRx, PKZB, wPBEh, PBEh █
█ * Correlation functionals: VWN, VWN5, LYP, Perdew █
█ 81, Perdew 86, Perdew-Wang 91, PBE, B95, TPSS, █
█ KCIS, BRC, PKZB █
█ * Other pure functionals: VSXC, HCTH functional █
█ family █
█ * Hybrid methods: B3LYP, B3P86, P3PW91, B1 and █
█ variations, B98, B97-1, B97-2, PBE1PBE, HSEh1PBE █
█ and variations, O3LYP, TPSSh, BMK, M05 & M06 and █
█ variations, X3LYP; user-configurable hybrid █
█ methods █
█ * Empirical dispersion: B97D █
█ * Long range-corrected: LC-wPBE, CAM-B3LYP, WB97XD █
█ and variations, Hirao's general LC correction █
█ █
█ Electron Correlation █
█ * All methods/job types are available for both █
█ closed and open shell systems and may optionally █
█ use frozen core orbitals; restricted open shell █
█ calculations are available for MP2, MP3, MP4 and █
█ CCSD/CCSD(T) energies. █
█ * MP2 energies, gradients, and frequencies █
█ * B2PLYP and MPW2PLYP double hybrid DFT energies, █
█ gradients and frequencies, with optional empirical █
█ dispersion █
█ * CASSCF calculations with MP2 correlation for any █
█ specified set of states █
█ * MP3 and MP4(SDQ) energies and gradients █
█ * MP4(SDTQ) and MP5 energies █
█ * Configuration Interaction (CISD) energies & █
█ gradients █
█ * Quadratic CI energies & gradients; QCISD(TQ) █
█ energies █
█ * Coupled Cluster methods: restartable CCD, CCSD █
█ energies & gradients, CCSD(T) energies; optionally █
█ input amplitudes computed with smaller basis set █
█ * Brueckner Doubles (BD) energies and gradients, █
█ BD(T) energies; optionally input amplitudes & █
█ orbitals computed with a smaller basis set █
█ * Enhanced Outer Valence Green's Function (OVGF) █
█ methods for ionization potentials & electron █
█ affinities █
█ * Complete Basis Set (CBS) MP2 Extrapolation █
█ * Douglas-Kroll-Hess scalar relativistic █
█ Hamiltonians █
█ █
█ Automated High Accuracy Energies █
█ * G1, G2, G3, G4 and variations █
█ * CBS-4, CBS-q, CBS-QB3, ROCBS-QB3, CBS-Q, CBS-APNO █
█ * W1U, W1BD, W1RO █
█ █
█ Basis Sets and DFT Fitting Sets █
█ * STO-3G, 3-21G, ..., 6-31G, 6-31G+, 6-311G, D95, █
█ D95V, SHC, LanL2DZ, cc-pV{D,T,Q,5,6}Z, █
█ Dcc-p{D,T}Z, SV, SVP, TZV, QZVP, EPR-II, EPR-III, █
█ Midi!, UGBS*, MTSmall, DG{D,T}ZVP █
█ * Effective Core Potentials (through second █
█ derivatives): LanL2DZ, CEP through Rn, █
█ Stuttgart/Dresden █
█ * Support for basis functions and ECPs of arbitrary █
█ angular momentum █
█ * DFT fitting sets: DGA1, DGA1, W06; auto-generated █
█ fitting sets; optional default enabling of density █
█ fitting █
█ █
█ Geometry Optimizations and Reaction Modeling █
█ * Geometry optimizations for equilibrium structures, █
█ transition structures, and higher saddle points, █
█ in redundant internal, internal (Z-matrix), █
█ Cartesian, or mixed internal and Cartesian █
█ coordinates █
█ * Redundant internal coordinate algorithm designed █
█ for large system, semi-empirical optimizations █
█ * Newton-Raphson and Synchronous Transit-Guided █
█ Quasi-Newton (QST2/3) methods for locating █
█ transition structures █
█ * IRCMax transition structure searches █
█ * Relaxed and unrelaxed potential energy surface █
█ scans █
█ * New implementation of intrinsic reaction path █
█ following (IRC), applicable to ONIOM QM:MM with █
█ thousands of atoms █
█ * Reaction path optimization █
█ * BOMD molecular dynamics (all analytic gradient █
█ methods); ADMP molecular dynamics: HF, DFT, █
█ ONIOM(MO:MM) █
█ * Optimization of conical intersections via █
█ state-averaged CASSCF █
█ █
█ Vibrational Analysis █
█ * Vibrational frequencies and normal modes, █
█ including display/output limiting to specified █
█ atoms/residues/modes (optional mode sorting) █
█ * Restartable analytic HF and DFT freqs. █
█ * MO:MM ONIOM frequencies including electronic █
█ embedding █
█ * Analytic Infrared and static and dynamic Raman █
█ intensities (HF & DFT; MP2 for IR) █
█ * Pre-resonance Raman spectra (HF and DFT) █
█ * Projected frequencies perpendicular to a reaction █
█ path █
█ * NMR shielding tensors & GIAO magnetic █
█ susceptibilities (HF, DFT, MP2) and enhanced █
█ spin-spin coupling (HF, DFT) █
█ * Vibrational circular dichroism (VCD) rotational █
█ strengths (HF and DFT) █
█ * Dynamic Raman Optical Activity (ROA) intensities █
█ * Harmonic vibration-rotation coupling █
█ * Enhanced anharmonic vibrational analysis █
█ * Anharmonic vibration-rotation coupling via █
█ perturbation theory █
█ * Hindered rotor analysis █
█ █
█ Molecular Properties █
█ * Electronic circular dichroism (ECD) rotational █
█ strengths (HF and DFT) █
█ * Electrostatic potential, electron density, density █
█ gradient, Laplacian, and magnetic shielding & █
█ induced current densities over an automatically █
█ generated grid █
█ * Multipole moments through hexadecapole █
█ * Population analysis, including per-orbital █
█ analysis for specified orbitals █
█ * Biorthogonalization of molecular orbitals █
█ (producing corresponding orbitals) █
█ * Electrostatic potential-derived charges █
█ * Natural orbital analysis and natural transition █
█ orbitals █
█ * Natural Bond Orbital (NBO) analysis, including █
█ orbitals for CAS jobs █
█ * Electrostatic energy & Fermi contact terms █
█ * Static and frequency-dependent analytic █
█ polarizabilities and hyperpolarizabilities (HF and █
█ DFT); numeric 2nd hyperpolar-izabilities (HF; DFT █
█ w/ analytic 3rd derivs.) █
█ * Approx. CAS spin orbit coupling between states █
█ * Enhanced optical rotations and optical rotary █
█ dispersion (ORD) █
█ * Hyperfine spectra components: electronic g █
█ tensors, Fermi contact terms, anisotropic Fermi █
█ contact terms, rotational constants, dipole █
█ hyperfine terms, quartic centrifugal distortion, █
█ electronic spin rotation tensors, nuclear electric █
█ quadrupole constants, nuclear spin rotation █
█ tensors █
█ * Franck-Condon analysis (photoionization) █
█ * ONIOM integration of electric and magnetic █
█ properties █
█ █
█ ONIOM Calculations █
█ * Enhanced 2 and 3 layer ONIOM energies, gradients █
█ and frequencies using any available method for any █
█ layer █
█ * Optional electronic embedding for MO:MM energies, █
█ gradients and frequencies █
█ * Enhanced MO:MM ONIOM optimizations to minima and █
█ transition structures via microiterations █
█ including electronic embedding █
█ * Support for IRC calculations █
█ * ONIOM integration of electric and magnetic █
█ properties █
█ █
█ Excited States █
█ * ZINDO energies █
█ * CI-Singles energies, gradients, & freqs. █
█ * Restartable time-dep. HF & DFT energies and █
█ gradients █
█ * SAC-CI energies and gradients █
█ * EOM-CCSD energies (restartable); optionally input █
█ amplitudes computed with a smaller basis set █
█ * Franck-Condon, Herzberg-Teller and FCHT analyses █
█ * CI-Singles and TD-DFT in solution █
█ * State-specific excitations and de-excitations in █
█ solution █
█ █
█ Self-Consistent Reaction Field Solvation Models █
█ * New implementation of the Polarized Continuum █
█ Model (PCM) facility for energies, gradients and █
█ frequencies █
█ * Solvent effects on vibrational spectra, NMR, and █
█ other properties █
█ * Solvent effects for ADMP trajectory calcs. █
█ * Solvent effects for ONIOM calculations █
█ * Enhanced solvent effects for excited states █
█ * SMD model for δG of solvation █
█ * Other SCRF solvent models (HF & DFT): Onsager █
█ energies, gradients and freqs., Isodensity Surface █
█ PCM (I-PCM) energies and Self-Consistent █
█ Isodensity Surface PCM (SCI-PCM) energies and █
█ gradients █
█ █
█ Ease-of-Use Features █
█ * Automated counterpoise calculations █
█ * Automated optimization followed by frequency or █
█ single point energy █
█ * Ability to easily add, remove, freeze, █
█ differentiate redundant internal coords █
█ * Simplified isotope substitution and █
█ temperature/pressure specification in the route █
█ section █
█ * Freezing by fragment for ONIOM optimizations █
█ * Simplified fragment definitions on molecule █
█ specifications █
█ * Many more restartable job types █
█ * Atom freezing in optimizations by type, fragment, █
█ ONIOM layer and/or residue █
█ * QST2/QST3 automated transition structure █
█ optimizations █
█ * Saving and reading normal modes █
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▄ Do NOT distribute this release outside of the scene ▄
▄ Keep the scene alive and secure! ▄
▄ ▄
All good progs start as freeware,
then things get worse ... ;-)
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▒▐▓█ ▓ ■ `TLB' ■ ▓ █▓▌▒
▒▐██ ▒ Try it, Like it, Buy it! ▒ ██▌▒
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█ 1. Unpack to the folder: C:\Program Files\G09W █
█ 2. RFTM and start using it, as it's already fixed. █
█ GaussView is also included for your convenience. █
█ █
█ That's all. Have fun using it! ;-) █
█ █
█ ___________________________________________________________________ █
█ █
█ Always remember to block applications (or go off line) from calling █
█ home 'during install'. Once installed, disable 'check for automatic █
█ updates' option if available, so that you don't get it blacklisted. █
█▌ ▐█
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██ ▐████ ░ ██████████▒█████████▒██████████ ░ ████▌n0!██
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███ ░ ∙ ∙ NFO LAST UPDATE ON 2009 ∙ ∙ ░ ███
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Files
| Path | Size |
|---|---|
| eatg0901.zip | 4,83 MB |
| eatg0902.zip | 4,76 MB |
| eatg0903.zip | 4,77 MB |
| eatg0904.zip | 4,77 MB |
| eatg0905.zip | 4,77 MB |
| eatg0906.zip | 4,77 MB |
| eatg0907.zip | 4,77 MB |
| eatg0908.zip | 4,77 MB |
| eatg0909.zip | 4,77 MB |
| eatg0910.zip | 4,77 MB |
| eatg0911.zip | 4,77 MB |
| eatg0912.zip | 4,77 MB |
| eatg0913.zip | 4,77 MB |
| eatg0914.zip | 4,77 MB |
| eatg0915.zip | 4,77 MB |
| eatg0916.zip | 4,77 MB |
| eatg0917.zip | 4,77 MB |
| eatg0918.zip | 4,77 MB |
| eatg0919.zip | 4,77 MB |
| eatg0920.zip | 4,77 MB |
| eatg0921.zip | 4,77 MB |
| eatg0922.zip | 4,77 MB |
| eatg0923.zip | 4,77 MB |
| eatg0924.zip | 4,77 MB |
| eatg0925.zip | 4,77 MB |
| eatg0926.zip | 4,77 MB |
| eatg0927.zip | 4,77 MB |
| eatg0928.zip | 4,77 MB |
| eatg0929.zip | 4,77 MB |
| eatg0930.zip | 4,77 MB |
| eatg0931.zip | 4,72 MB |
| eatg0932.zip | 4,77 MB |
| eatg0933.zip | 4,76 MB |
| eatg0934.zip | 4,77 MB |
| eatg0935.zip | 4,77 MB |
| eatg0936.zip | 4,77 MB |
| eatg0937.zip | 4,77 MB |
| eatg0938.zip | 4,77 MB |
| eatg0939.zip | 4,77 MB |
| eatg0940.zip | 2,82 MB |