1.000 1.000 1.000 90.000 90.000 90.000 1 1 0.010 0.700 # deformed cyclohexane D3d C1 1 0.2567 0.7278 -1.2564 C2 1 -0.2567 -0.7242 -1.2584 C3 1 0.2567 -1.4519 -0.0021 C4 1 -0.2567 -0.7278 1.2564 C5 1 0.2567 0.7242 1.2584 C6 1 -0.2567 1.4519 0.0021 H11 -1 1.2567 0.7278 -1.3564 H12 -1 -0.0767 1.2003 -2.3722 H21 -1 -1.2567 -0.7242 -1.3584 H22 -1 0.0767 -1.1944 -2.3756 H31 -1 1.2567 -1.4519 -0.3021 H32 -1 -0.0767 -2.3947 -0.3034 H41 -1 -1.2567 -0.7278 1.3564 H42 -1 0.0767 -1.2003 2.0722 H51 -1 1.2567 0.7242 1.3584 H52 -1 -0.0767 1.1944 2.3756 H61 -1 -1.2567 1.4519 0.3021 H62 -1 0.0767 2.3947 0.3034 # # The same cyclohexane but with y(H62) changed of 2 Angstrom D3d # C1 2 0.2567 0.7278 -1.2564 C2 2 -0.2567 -0.7242 -1.2584 C3 2 0.2567 -1.4519 -0.0021 C4 2 -0.2567 -0.7278 1.2564 C5 2 0.2567 0.7242 1.2584 C6 2 -0.2567 1.4519 0.0021 H11 -2 1.2567 0.7278 -1.3564 H12 -2 -0.0767 1.2003 -2.3722 H21 -2 -1.2567 -0.7242 -1.3584 H22 -2 0.0767 -1.1944 -2.3756 H31 -2 1.2567 -1.4519 -0.3021 H32 -2 -0.0767 -2.3947 -0.3034 H41 -2 -1.2567 -0.7278 1.3564 H42 -2 0.0767 -1.2003 2.0722 H51 -2 1.2567 0.7242 1.3584 H52 -2 -0.0767 1.1944 2.3756 H61 -2 -1.2567 1.4519 0.3021 H62 -2 0.0767 4.3947 0.3034