Optimizer: Optimization complete!
CP Corrected MP2 Binding Energy
CP_Corrected_2_Body_Interaction_Energy|-4.704625470947018|kcal/mol
SAPT2+(3)dmp2 Binding Energy
SAPT_Disp_Energy|-2.516918280752856|kcal/mol
SAPT_Elst_Energy|-8.40270529168735|kcal/mol
SAPT_Exch_Energy|8.69640881360213|kcal/mol
SAPT_Ind_Energy|-2.66898240775101|kcal/mol
SAPT_Total_Energy|-4.892197166589088|kcal/mol
SAPT2+(3) Charge Transfer Estimate|-0.5633848831469328|kcal/mol
 25 displacements needed.
 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25
Warning: thermodynamics relations excluded imaginary frequencies: ['140.1460i' '115.6044i' '102.8720i']
Warning: used thermodynamics relations inappropriate for low-frequency modes: ['181.8905' '308.0606' '603.4111']
Thermodynamic Analysis at 298.15K
Electronic_Energy|-95799.43050654676|kcal/mol
Zero_Point_Vibrational_Energy|28.415189097975528|kcal/mol
Enthalpy_Correction|31.51527706611361|kcal/mol
Enthalpy|-95767.91522948064|kcal/mol
Thermal_Energy_Correction|30.92279150472136|kcal/mol
Thermal_Energy|-95768.50771504203|kcal/mol
Gibbs_Free_Energy_Correction|13.060853143023452|kcal/mol
Gibbs_Free_Energy|-95786.36965340373|kcal/mol
Entropy|0.06189644113060593|kcal/mol.K