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39 lines
2.3 KiB
39 lines
2.3 KiB
Entering Gaussian System |
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GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad |
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GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad |
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Standard orientation: |
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Center Atomic Atomic Coordinates (Angstroms) |
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Number Number Type X Y Z |
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1 8 0 -3.61600000 1.68174000 -0.00606000 |
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2 1 0 -2.62668000 1.64010000 0.00408000 |
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3 1 0 -3.90537000 0.76163000 0.21815000 |
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6 basis functions, 6 primitive gaussians, 6 carterian basis functions |
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4 alpha electrons 4 beta electrons |
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******************************************************************************** |
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Harmonic frequencies (cm**-1), IR intensities (km/Mole), Raman scattering |
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activiteis (Angstrom**4/AMU), depolarization ratios for plane incident |
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light, reduced masses (AMU), force constants (mDyne/Angstrom), |
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and normal coordinates: |
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1 2 3 |
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A A A |
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Frequencies -- 1554.8161 3303.8705 3544.0970 |
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Red. masses -- 1.0803 1.0477 1.0820 |
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Frc consts -- 1.5387 6.7378 8.0074 |
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IR Inten -- 87.6066 58.6345 51.2306 |
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Raman Activ -- 15.6318 63.5890 51.0501 |
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Depolar (P) -- 0.6510 0.1330 0.7500 |
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Atom AN X Y Z X Y Z X Y Z |
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1 8 0.04 -0.06 0.01 0.03 -0.04 0.01 -0.06 -0.04 0.01 |
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2 1 0.04 0.68 -0.17 -0.71 0.00 -0.00 0.70 -0.03 0.01 |
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3 1 -0.68 0.19 -0.05 0.23 0.65 -0.16 0.21 0.66 -0.16 |
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Normal termination of Gaussian 09
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