TITLE; HCO2 (3,1) critical points around c1 BUBBLE: VERSION 1.2 WELCOME TO BUBBLE !! C 1 .00000000 .00000000 .57942804 O 2 .00000000 2.11695431 -.38686460 O 3 .00000000 -2.11695431 -.38686460 H 4 .00000000 .00000000 2.71326541 ATOM NUMBER OF SEARCHED ATOM: 1 THE COORDINATES OF THE SEARCHED ATOM ARE: .000000 .000000 .579428 THE NUMBER OF CRITICAL POINTS TO BE FOUND: 2 THE SIGNATURE OF THE CRITICAL POINTS: + 1 THE SEARCHING RANGE IS: .900000 TO 1.200000 a.u. FROM ATOM # 1 ********************************************************************* *********** ********************************************************************* *********** ********************************************************************* *********** COORDINATES OF CRITICAL POINT X = -1.06860181E+00 Y = -5.86877428E-14 Z = 7.38200733E-01 R = 1.29878795E+00 EIGENVALUES OF THE HESSIAN (-DEL-SQUARED RHO) 3.19940100E-01 -5.58957206E+00 6.12034024E-01 VALUES RHO 1.1198557063E-01 GRAD 1.7041848876E-01 DEL2 1.1074040515E-01 G(X) 1.4432790712E-01 K(X) 1.1664280583E-01 L(X) -2.7685101286E-02 VECTORS FROM NUCLEI TO CRITICAL POINT LENGTHS AND ANGLES MADE WITH PROJECTIONS ONTO YZ/XZ/XY PLANES OF MCS NUCLEUS LENGTH YZ ANGLE XZ ANGLE XY ANGLE C 1 1.08033263E+00 8.15488292E+01 0.00000000E+00 8.45117084E+00 O 2 2.62472425E+00 2.40246209E+01 5.37595848E+01 2.53813674E+01 O 3 2.62472425E+00 2.40246209E+01 5.37595848E+01 2.53813674E+01 H 4 2.24561579E+00 2.84154485E+01 0.00000000E+00 6.15845515E+01 DISTANCE FROM THE SEARCHED NUCLEUS: 1.0803326295063 ********************************************************************* *********** ********************************************************************* *********** ********************************************************************* *********** COORDINATES OF CRITICAL POINT X = -1.78015729E-13 Y = 5.87032475E-14 Z = -4.08082233E-01 R = 4.08082233E-01 EIGENVALUES OF THE HESSIAN (-DEL-SQUARED RHO) 3.34368971E+00 8.47928934E-01 -1.50676813E+01 VALUES RHO 1.8238406870E-01 GRAD 2.3864901494E-01 DEL2 2.6388571469E-01 G(X) 2.8500403090E-01 K(X) 2.1903260223E-01 L(X) -6.5971428672E-02 VECTORS FROM NUCLEI TO CRITICAL POINT LENGTHS AND ANGLES MADE WITH PROJECTIONS ONTO YZ/XZ/XY PLANES OF MCS NUCLEUS LENGTH YZ ANGLE XZ ANGLE XY ANGLE C 1 9.87510273E-01 0.00000000E+00 0.00000000E+00 9.00000000E+01 O 2 2.11706064E+00 0.00000000E+00 8.94257599E+01 5.74240118E-01 O 3 2.11706064E+00 0.00000000E+00 8.94257599E+01 5.74240118E-01 H 4 3.12134764E+00 0.00000000E+00 0.00000000E+00 9.00000000E+01 DISTANCE FROM THE SEARCHED NUCLEUS: .9875102725561887 ********************************************************************* *********** ********************************************************************* *********** ********************************************************************* *********** ALL REQUESTED CRITICAL POINTS HAVE BEEN FOUND CRITICAL POINTS -1.06860181E+00 -5.86877428E-14 7.38200733E-01 -1.78015729E-13 5.87032475E-14 -4.08082233E-01