$orca_hessian_file $act_atom 0 $act_coord 0 $act_energy -10.306829 $hessian 9 0 1 2 3 4 0 1.0172558866E+00 3.7717939410E-10 -2.0158590912E-09 -9.6522099886E-01 -3.3453629031E-10 1 3.7717939410E-10 4.6257550965E-02 7.1422933750E-13 -3.9371313327E-10 -4.8415046700E-02 2 -2.0158590912E-09 7.1422933750E-13 4.6257550963E-02 2.1016768163E-09 -2.8402779435E-12 3 -9.6522099886E-01 -3.9371313327E-10 2.1016768163E-09 1.9304270433E+00 1.2319228909E-10 4 -3.3453629031E-10 -4.8415046700E-02 -2.8402779435E-12 1.2319228909E-10 1.4621391619E-01 5 1.7855160986E-09 6.4867390050E-13 -4.8415046685E-02 -6.5106717659E-10 2.0327540885E-12 6 -5.2027873836E-02 2.2757391073E-13 1.8907040842E-12 -9.6522007231E-01 2.3591578074E-10 7 -2.0432886188E-12 -2.2534365607E-02 2.5381625415E-12 2.6245214419E-10 -4.8415147821E-02 8 1.3193083418E-11 -1.1466340465E-12 -2.2534365615E-02 -1.4073202047E-09 2.9823040150E-13 5 6 7 8 0 1.7855160986E-09 -5.2027873836E-02 -2.0432886188E-12 1.3193083418E-11 1 6.4867390050E-13 2.2757391073E-13 -2.2534365607E-02 -1.1466340465E-12 2 -4.8415046685E-02 1.8907040842E-12 2.5381625415E-12 -2.2534365615E-02 3 -6.5106717659E-10 -9.6522007231E-01 2.6245214419E-10 -1.4073202047E-09 4 2.0327540885E-12 2.3591578074E-10 -4.8415147821E-02 2.9823040150E-13 5 1.4621391619E-01 -1.2654105292E-09 -3.1249372990E-12 -4.8415147827E-02 6 -1.2654105292E-09 1.0172549601E+00 -2.6859343894E-10 1.4374199555E-09 7 -3.1249372990E-12 -2.6859343894E-10 4.6257653100E-02 8.7979902001E-13 8 -4.8415147827E-02 1.4374199555E-09 8.7979902001E-13 4.6257653101E-02 $vibrational_frequencies 9 0 0.000000 1 0.000000 2 0.000000 3 0.000000 4 0.000000 5 600.703532 6 600.703532 7 1328.912392 8 2416.816551 $normal_modes 9 9 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 6 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 7 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 8 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 5 6 7 8 0 -2.3648407580E-09 -4.6552238897E-10 -7.0710664842E-01 -3.3154792498E-01 1 1.2276547308E-01 -3.0798137360E-01 -2.4533875555E-10 -1.9830812166E-10 2 -3.0798137360E-01 -1.2276547308E-01 1.3121764702E-09 1.0587844555E-09 3 3.0553128916E-10 5.9475780235E-11 -3.5369919662E-07 8.8326227666E-01 4 -3.2705431550E-01 8.2048017898E-01 6.5359681247E-10 5.7884064953E-11 5 8.2048017898E-01 3.2705431550E-01 -3.4957149607E-09 -3.0583792470E-10 6 2.1354678417E-09 4.2087184936E-10 7.0710691395E-01 -3.3154746879E-01 7 1.2276545906E-01 -3.0798133843E-01 -2.4533886896E-10 1.5485256168E-10 8 -3.0798133843E-01 -1.2276545906E-01 1.3121770764E-09 -8.2918139823E-10 # # The atoms: label mass x y z (in bohrs) # $atoms 3 O 15.99900 2.051628489027 0.000888170893 0.184380580973 C 12.01100 4.249993991510 0.000888172063 0.184380574714 O 15.99900 6.448359745030 0.000888170893 0.184380580973 $actual_temperature 0.000000 $frequency_scale_factor 1.000000 $dipole_derivatives 9 -1.4000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -4.0000000000E-01 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -4.0000000000E-01 3.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 8.0000000000E-01 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 8.0000000000E-01 -1.4000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -4.0000000000E-01 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -4.0000000000E-01 # # The IR spectrum # wavenumber eps Int TX TY TZ # $ir_spectrum 9 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 600.70 0.01413744 71.44481416 0.000000 -0.031733 0.079608 600.70 0.01413744 71.44481416 0.000000 0.079608 0.031733 1328.91 0.00000000 0.00000000 -0.000000 0.000000 -0.000000 2416.82 0.19163901 968.46501055 0.157305 0.000000 -0.000000 $end