<HTML><BODY>Dear Molpro community,<br><br>does anyone know what it could be. I've got the following error:Parser: vector out of boundary (8)<br><span>Thank uou in advance,<br><br><br>Yulia KALUGINA<br>Assistant Professor<br>Department of Optics and Spectroscopy<br>Tomsk State University, RUSSIA<br><br><br>Here is the input<br>_____________<br></span>memory,100,m <br>symmetry,nosym<br> gthresh,energy=1.d-10,orbital=1.d-8<br> geometry={angstrom<br>1,C1,, 0., 0., 0. <br>2,H2,, 0.629254 0.629254 0.629254 <br>3,H3,, -0.629254 -0.629254 0.629254 <br>4,H4,, -0.629254 0.629254 -0.629254 <br>5,H5,, 0.629254 -0.629254 -0.629254 <br> }<br> basis=avtz<br> hf<br> mp2<br> <br> ener0=energy<br> <br> fieldsF=[0.0025]<br> <br> do i=1,#fieldsF<br> F=fieldsF(i)<br> <br> FF=0.00001<br> <br><br><br>!x,y,xxx<br>!x,y,xxy<br>!x,y,xyy<br>!x,y,xxz<br>!x,y,xzz<br>!x,y,yyz<br>!x,y,yzz<br> <br><br><br> field,xxx,FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxx_x_y_1=energy<br> <br> field,xxx,FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxx_x_y_2=energy<br> <br> field,xxx,FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxx_x_y_3=energy<br> <br> field,xxx,FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxx_x_y_4=energy<br> <br> <br> field,xxx,-FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxx_x_y_5=energy<br> <br> field,xxx,-FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxx_x_y_6=energy<br> <br> field,xxx,-FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxx_x_y_7=energy<br> <br> field,xxx,-FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxx_x_y_8=energy<br> <br> <br><br><br> field,xxy,FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxy_x_y_1=energy<br> <br> field,xxy,FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxy_x_y_2=energy<br> <br> field,xxy,FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxy_x_y_3=energy<br> <br> field,xxy,FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxy_x_y_4=energy<br> <br> <br> field,xxy,-FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxy_x_y_5=energy<br> <br> field,xxy,-FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxy_x_y_6=energy<br> <br> field,xxy,-FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxy_x_y_7=energy<br> <br> field,xxy,-FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxy_x_y_8=energy<br> <br> <br> <br><br> field,xyy,FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxyy_x_y_1=energy<br> <br> field,xyy,FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxyy_x_y_2=energy<br> <br> field,xyy,FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxyy_x_y_3=energy<br> <br> field,xyy,FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxyy_x_y_4=energy<br> <br> <br> field,xyy,-FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxyy_x_y_5=energy<br> <br> field,xyy,-FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxyy_x_y_6=energy<br> <br> field,xyy,-FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxyy_x_y_7=energy<br> <br> field,xyy,-FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxyy_x_y_8=energy<br> <br> <br> <br><br> field,xxz,FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxz_x_y_1=energy<br> <br> field,xxz,FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxz_x_y_2=energy<br> <br> field,xxz,FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxz_x_y_3=energy<br> <br> field,xxz,FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxz_x_y_4=energy<br> <br> <br> field,xxz,-FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxz_x_y_5=energy<br> <br> field,xxz,-FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxz_x_y_6=energy<br> <br> field,xxz,-FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxxz_x_y_7=energy<br> <br> field,xxz,-FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxxz_x_y_8=energy<br> <br> <br> <br><br> field,xzz,FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxzz_x_y_1=energy<br> <br> field,xzz,FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxzz_x_y_2=energy<br> <br> field,xzz,FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxzz_x_y_3=energy<br> <br> field,xzz,FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxzz_x_y_4=energy<br> <br> <br> field,xzz,-FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxzz_x_y_5=energy<br> <br> field,xzz,-FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxzz_x_y_6=energy<br> <br> field,xzz,-FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> enerxzz_x_y_7=energy<br> <br> field,xzz,-FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> enerxzz_x_y_8=energy<br> <br> <br> <br><br> field,yyz,FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryyz_x_y_1=energy<br> <br> field,yyz,FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryyz_x_y_2=energy<br> <br> field,yyz,FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryyz_x_y_3=energy<br> <br> field,yyz,FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryyz_x_y_4=energy<br> <br> <br> field,yyz,-FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryyz_x_y_5=energy<br> <br> field,yyz,-FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryyz_x_y_6=energy<br> <br> field,yyz,-FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryyz_x_y_7=energy<br> <br> field,yyz,-FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryyz_x_y_8=energy<br> <br> <br> <br><br> field,yzz,FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryzz_x_y_1=energy<br> <br> field,yzz,FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryzz_x_y_2=energy<br> <br> field,yzz,FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryzz_x_y_3=energy<br> <br> field,yzz,FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryzz_x_y_4=energy<br> <br> <br> field,yzz,-FF<br> field+,dmx,F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryzz_x_y_5=energy<br> <br> field,yzz,-FF<br> field+,dmx,F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryzz_x_y_6=energy<br> <br> field,yzz,-FF<br> field+,dmx,-F<br> field+,dmy,F<br> hf<br> mp2 <br> eneryzz_x_y_7=energy<br> <br> field,yzz,-FF<br> field+,dmx,-F<br> field+,dmy,-F<br> hf<br> mp2 <br> eneryzz_x_y_8=energy<br> <br> <br> <br><br><br> <br> <br> <br> duxyxxx=-(-(enerxxx_x_y_1-enerxxx_x_y_2-enerxxx_x_y_3+enerxxx_x_y_4)+(enerxxx_x_y_5-enerxxx_x_y_6-enerxxx_x_y_7+enerxxx_x_y_8))/(3*2*2*FF*F*F)<br> duxyxxy=-(-(enerxxy_x_y_1-enerxxy_x_y_2-enerxxy_x_y_3+enerxxy_x_y_4)+(enerxxy_x_y_5-enerxxy_x_y_6-enerxxy_x_y_7+enerxxy_x_y_8))/(3*2*2*FF*F*F)<br> duxyxyy=-(-(enerxyy_x_y_1-enerxyy_x_y_2-enerxyy_x_y_3+enerxyy_x_y_4)+(enerxyy_x_y_5-enerxyy_x_y_6-enerxyy_x_y_7+enerxyy_x_y_8))/(3*2*2*FF*F*F)<br> duxyxxz=-(-(enerxxz_x_y_1-enerxxz_x_y_2-enerxxz_x_y_3+enerxxz_x_y_4)+(enerxxz_x_y_5-enerxxz_x_y_6-enerxxz_x_y_7+enerxxz_x_y_8))/(3*2*2*FF*F*F)<br> duxyxzz=-(-(enerxzz_x_y_1-enerxzz_x_y_2-enerxzz_x_y_3+enerxzz_x_y_4)+(enerxzz_x_y_5-enerxzz_x_y_6-enerxzz_x_y_7+enerxzz_x_y_8))/(3*2*2*FF*F*F)<br> duxyyyz=-(-(eneryyz_x_y_1-eneryyz_x_y_2-eneryyz_x_y_3+eneryyz_x_y_4)+(eneryyz_x_y_5-eneryyz_x_y_6-eneryyz_x_y_7+eneryyz_x_y_8))/(3*2*2*FF*F*F)<br> duxyyzz=-(-(eneryzz_x_y_1-eneryzz_x_y_2-eneryzz_x_y_3+eneryzz_x_y_4)+(eneryzz_x_y_5-eneryzz_x_y_6-eneryzz_x_y_7+eneryzz_x_y_8))/(3*2*2*FF*F*F)<br> <br> <br><br>enddo<br><br><span></span><span></span></BODY></HTML>