File: pot_bend.pot

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cp2k 2025.2-1
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BONDS
CTL2  HAL2  000.00      1.111
CTL3  HAL3  000.00      1.111
CTL2  CTL2  000.000     1.530
CTL2  CTL3  000.000     1.528

ANGLES
HAL2 CTL2 HAL2   35.500    109.00
HAL3 CTL3 HAL3   35.500    108.40
HAL3 CTL3 HAL3   35.500    108.40
HAL2 CTL2 CTL3   34.600    110.10
CTL2 CTL2 CTL3   58.000    115.00
HAL3 CTL3 CTL2   34.600    110.10
HAL2 CTL2 CTL2   26.500    110.10

DIHEDRALS
CTL3 CTL2 CTL2 CTL3     0.00    2   180.00
CTL3 CTL2 CTL2 CTL3     0.00    4     0.00
CTL3 CTL2 CTL2 CTL3     0.00    6   180.00
HAL2 CTL2 CTL3 HAL3     0.0000  3     0.00
CTL2 CTL2 CTL3 HAL3     0.0000  3     0.00
CTL3 CTL2 CTL2 HAL2     0.0000  3     0.00
HAL2 CTL2 CTL2 HAL2     0.0000  3     0.00

IMPROPER

NONBONDED
HAL2     0.0       -0.000     1.3400
HAL3     0.0       -0.000     1.3400
CTL2     0.0       -0.0000    2.010 
CTL3     0.0       -0.0000    2.040

HBOND CUTHB 0.5

END