$orca_hessian_file $act_atom 0 $act_coord 0 $act_energy -7.906650 $hessian 6 0 1 2 3 4 0 8.4758564328E-01 -1.9586528653E-13 9.9420864020E-15 -8.4758564327E-01 4.4592567559E-13 1 -1.9586528653E-13 -5.7540195132E-03 -2.3384841278E-14 -9.0456931015E-13 5.7540195134E-03 2 9.9420864020E-15 -2.3384841278E-14 -5.7540195132E-03 -1.1572655252E-13 2.3972966388E-14 3 -8.4758564327E-01 -9.0456931015E-13 -1.1572655252E-13 8.4758564327E-01 6.5450892109E-13 4 4.4592567559E-13 5.7540195134E-03 2.3972966388E-14 6.5450892109E-13 -5.7540195136E-03 5 3.4003837488E-13 3.2581672750E-16 5.7540195134E-03 -2.3425390876E-13 -9.1394183800E-16 5 0 3.4003837488E-13 1 3.2581672750E-16 2 5.7540195134E-03 3 -2.3425390876E-13 4 -9.1394183800E-16 5 -5.7540195136E-03 $vibrational_frequencies 6 0 0.000000 1 0.000000 2 0.000000 3 0.000000 4 0.000000 5 1673.234280 $normal_modes 6 6 0 1 2 3 4 0 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 2 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 3 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 4 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 5 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 5 0 7.0710678119E-01 1 0.0000000000E+00 2 0.0000000000E+00 3 -7.0710678119E-01 4 0.0000000000E+00 5 0.0000000000E+00 # # The atoms: label mass x y z (in bohrs) # $atoms 2 O 15.99900 1.941114862176 -0.174610694774 -0.016686281763 O 15.99900 4.211493279168 -0.174610694774 -0.016686281763 $actual_temperature 0.000000 $frequency_scale_factor 1.000000 $dipole_derivatives 6 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 # # The IR spectrum # wavenumber eps Int TX TY TZ # $ir_spectrum 6 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 1673.23 0.00000000 0.00000000 0.000000 0.000000 0.000000 $end