CARBON MONOXIDE APRIL 11,1975 17 BASIS FUNCTIONS,Z-COORDINATE = -1.21829,NUCLEAR CHARGE = 6.0 N L ZETA COEFF 1 0 10.75340 0.5639674E+02 3 0 2.61780 0.7012669E+00 3 1 3.54870 0.5657594E+00 3 0 4.47960-0.2530605E+01 3 2 4.47960-0.5061209E+01 3 0 3.32200 0.4079293E+01 3 0 4.02620 0.1356425E+02 3 1 2.26430-0.1409983E+00 1 0 14.35870-0.4756740E+03 3 1 2.96850-0.2804999E+00 1 0 13.98460 0.5366889E+03 3 0 1.91080 0.3591829E-02 3 2 1.91080 0.7183658E-02 3 0 2.76300-0.1774847E+00 3 2 2.76300-0.3549695E+00 3 0 4.00820-0.7540389E+01 3 2 4.00820 0.7540389E+01 20 BASIS FUNCTIONS,Z-COORDINATE = 0.91371,NUCLEAR CHARGE = 8.0 N L ZETA COEFF 1 0 15.21260 0.2738612E+03 3 0 3.61696 0.4464041E+01 3 0 4.92044 0.2675648E+02 3 0 6.22392 0.2561431E+02 3 0 3.59200-0.1257649E+00 3 2 3.59200-0.2515298E+00 3 0 5.13390 0.4834231E+01 3 2 5.13390 0.9668462E+01 2 0 9.41478-0.1795076E+02 3 0 6.67580-0.4269403E+01 3 2 6.67580-0.8538807E+01 2 0 10.71826 0.1690727E+02 3 0 2.94960 0.3768575E+00 3 2 2.94960 0.7537149E+00 1 0 20.83030 0.3471663E+02 3 1 2.96208 0.1058690E+01 3 0 2.30720 0.3706991E-02 3 2 2.30720 0.7413982E-02 3 0 2.97070 0.1804781E+01 3 2 2.97070-0.1804781E+01 14 BASIS FUNCTIONS,Z-COORDINATE = 0.00000,NUCLEAR CHARGE = 0.0 N L ZETA COEFF 3 0 4.03580 0.8209758E+01 3 2 4.03580 0.1641952E+02 3 0 3.11738-0.7905503E+01 3 0 5.57770-0.5333758E+01 3 2 5.57770-0.1066752E+02 3 1 3.10490 0.9603355E+00 3 1 2.46250 0.7131148E+00 3 1 2.76388-0.2445524E+01 3 0 2.75140-0.1522696E+01 3 2 2.75140-0.3045392E+01 3 0 3.23800 0.5186741E+01 3 2 3.23800-0.5186741E+01 3 0 2.10900-0.5218441E-02 3 2 2.10900-0.1043688E-01 MOMENTS IN ATOMIC UNITS MONOPOLE DIPOLE QUADRUPOLE OCTAPOLE HEXADECAPOLE 0.1114082E-01-0.1174046E+00-0.1627098E+01 0.4171436E+01-0.9837172E+01 CARBON MONOXIDE CARBON MONOXIDE POTENTIAL. DATE 28-APR-83 TIME 23:03:26 THIS POTENTIAL SURFACE CALCULATION IS FOR IDENTICAL MOLECULES THE POTENTIAL SURFACE WILL BE CALCULATED AT 12 RADIAL DISTANCES 2.50000 3.00000 3.50000 4.00000 4.50000 5.00000 5.50000 6.00000 6.50000 7.00000 7.50000 8.00000 THE POTENTIAL SURFACE WILL BE CALCULATED AT 3 PHI1 ANGLES. THE COSINES OF THE PHI1 ANGLES ARE 1.00000 0.00000 -1.00000 THE POTENTIAL SURFACE WILL BE CALCULATED AT 3 THETA1 ANGLES. THE COSINES OF THE THETA1 ANGLES ARE 1.00000 0.00000 -1.00000 THE POTENTIAL SURFACE WILL BE CALCULATED AT 3 THETA2 ANGLES. THE COSINES OF THE THETA2 ANGLES ARE 1.00000 0.00000 -1.00000 CARBON MONOXIDE CARBON MONOXIDE POTENTIAL. DATE 28-APR-83 TIME 23:03:26 THE200 RADIAL INTERPOLATION POINTS ARE 1.94416 2.00000 2.05584 2.11168 2.16751 2.22335 2.27919 2.33503 2.39086 2.44670 2.50254 2.55838 2.61421 2.67005 2.72589 2.78173 2.83756 2.89340 2.94924 3.00508 3.06091 3.11675 3.17259 3.22843 3.28426 3.34010 3.39594 3.45178 3.50761 3.56345 3.61929 3.67513 3.73096 3.78680 3.84264 3.89848 3.95431 4.01015 4.06599 4.12183 4.17767 4.23350 4.28934 4.34518 4.40102 4.45685 4.51269 4.56853 4.62437 4.68020 4.73604 4.79188 4.84772 4.90355 4.95939 5.01523 5.07107 5.12690 5.18274 5.23858 5.29442 5.35025 5.40609 5.46193 5.51777 5.57360 5.62944 5.68528 5.74112 5.79695 5.85279 5.90863 5.96447 6.02030 6.07614 6.13198 6.18782 6.24365 6.29949 6.35533 6.41117 6.46701 6.52284 6.57868 6.63452 6.69036 6.74619 6.80203 6.85787 6.91371 6.96954 7.02538 7.08122 7.13706 7.19289 7.24873 7.30457 7.36041 7.41624 7.47208 7.52792 7.58376 7.63959 7.69543 7.75127 7.80711 7.86294 7.91878 7.97462 8.03046 8.08630 8.14213 8.19797 8.25381 8.30964 8.36548 8.42132 8.47716 8.53300 8.58883 8.64467 8.70051 8.75635 8.81218 8.86802 8.92386 8.97970 9.03553 9.09137 9.14721 9.20305 9.25888 9.31472 9.37056 9.42640 9.48223 9.53807 9.59391 9.64975 9.70558 9.76142 9.81726 9.87310 9.92893 9.98477 10.04061 10.09645 10.15228 10.20812 10.26396 10.31980 10.37563 10.43147 10.48731 10.54315 10.59898 10.65482 10.71066 10.76650 10.82234 10.87817 10.93401 10.98985 11.04569 11.10152 11.15736 11.21320 11.26904 11.32487 11.38071 11.43655 11.49239 11.54822 11.60406 11.65990 11.71574 11.77157 11.82741 11.88325 11.93909 11.99492 12.05076 12.10660 12.16244 12.21827 12.27411 12.32995 12.38579 12.44162 12.49746 12.55330 12.60914 12.66498 12.72081 12.77665 12.83249 12.88832 12.94416 13.00000 13.05584 THE COSINES OF THE200 THETA INTERPOLATION POINTS ARE -1.00000 -0.98995 -0.97990 -0.96985 -0.95980 -0.94975 -0.93970 -0.92965 -0.91960 -0.90955 -0.89950 -0.88945 -0.87940 -0.86935 -0.85930 -0.84925 -0.83920 -0.82915 -0.81910 -0.80905 -0.79899 -0.78894 -0.77889 -0.76884 -0.75879 -0.74874 -0.73869 -0.72864 -0.71859 -0.70854 -0.69849 -0.68844 -0.67839 -0.66834 -0.65829 -0.64824 -0.63819 -0.62814 -0.61809 -0.60804 -0.59799 -0.58794 -0.57789 -0.56784 -0.55779 -0.54774 -0.53769 -0.52764 -0.51759 -0.50754 -0.49749 -0.48744 -0.47739 -0.46734 -0.45729 -0.44724 -0.43719 -0.42714 -0.41709 -0.40704 -0.39698 -0.38693 -0.37688 -0.36683 -0.35678 -0.34673 -0.33668 -0.32663 -0.31658 -0.30653 -0.29648 -0.28643 -0.27638 -0.26633 -0.25628 -0.24623 -0.23618 -0.22613 -0.21608 -0.20603 -0.19598 -0.18593 -0.17588 -0.16583 -0.15578 -0.14573 -0.13568 -0.12563 -0.11558 -0.10553 -0.09548 -0.08543 -0.07538 -0.06533 -0.05528 -0.04523 -0.03518 -0.02513 -0.01508 -0.00503 0.00503 0.01508 0.02513 0.03518 0.04523 0.05528 0.06533 0.07538 0.08543 0.09548 0.10553 0.11558 0.12563 0.13568 0.14573 0.15578 0.16583 0.17588 0.18593 0.19598 0.20603 0.21608 0.22613 0.23618 0.24623 0.25628 0.26633 0.27638 0.28643 0.29648 0.30653 0.31658 0.32663 0.33668 0.34673 0.35678 0.36683 0.37688 0.38693 0.39698 0.40704 0.41709 0.42714 0.43719 0.44724 0.45729 0.46734 0.47739 0.48744 0.49749 0.50754 0.51759 0.52764 0.53769 0.54774 0.55779 0.56784 0.57789 0.58794 0.59799 0.60804 0.61809 0.62814 0.63819 0.64824 0.65829 0.66834 0.67839 0.68844 0.69849 0.70854 0.71859 0.72864 0.73869 0.74874 0.75879 0.76884 0.77889 0.78894 0.79899 0.80905 0.81910 0.82915 0.83920 0.84925 0.85930 0.86935 0.87940 0.88945 0.89950 0.90955 0.91960 0.92965 0.93970 0.94975 0.95980 0.96985 0.97990 0.98995 1.00000 THE RADIAL INTEGRATION WILL BE SPLIT INTO 11 SECTIONS. THE SECTIONS AND THE NUMBER OF POINTS IN EACH SECTION ARE 0.0000000 17 0.91371 11 1.21829 12 1.60000 6 2.00000 6 2.50000 6 3.00000 6 3.50000 6 4.00000 8 5.00000 8 6.00000 6 6.40312 THE 92 RADIAL INTEGRATION POINTS 0.00431 0.02253 0.05471 0.09982 0.15640 0.22263 0.29639 0.37532 0.45686 0.53840 0.61732 0.69108 0.75732 0.81390 0.85900 0.89118 0.90941 0.91703 0.93091 0.95481 0.98695 1.02495 1.06600 1.10705 1.14505 1.17719 1.20109 1.21497 1.22180 1.23659 1.26220 1.29705 1.33894 1.38524 1.43304 1.47935 1.52124 1.55608 1.58170 1.59648 1.61351 1.66776 1.75228 1.84772 1.93224 1.98649 2.01688 2.08470 2.19035 2.30965 2.41530 2.48312 2.51688 2.58470 2.69035 2.80965 2.91530 2.98312 3.01688 3.08470 3.19035 3.30965 3.41530 3.48312 3.51688 3.58470 3.69035 3.80965 3.91530 3.98312 4.01986 4.10167 4.23723 4.40828 4.59172 4.76277 4.89833 4.98014 5.01986 5.10167 5.23723 5.40828 5.59172 5.76277 5.89833 5.98014 6.01361 6.06829 6.15347 6.24966 6.33484 6.38951 THE 96 THETA INTEGRATION POINTS -0.99969 -0.99836 -0.99598 -0.99254 -0.98805 -0.98252 -0.97594 -0.96833 -0.95969 -0.95003 -0.93937 -0.92771 -0.91507 -0.90146 -0.88689 -0.87139 -0.85496 -0.83762 -0.81940 -0.80031 -0.78037 -0.75960 -0.73803 -0.71568 -0.69256 -0.66872 -0.64416 -0.61893 -0.59303 -0.56651 -0.53939 -0.51169 -0.48346 -0.45471 -0.42548 -0.39580 -0.36570 -0.33521 -0.30436 -0.27320 -0.24174 -0.21003 -0.17810 -0.14597 -0.11370 -0.08130 -0.04881 -0.01628 0.01628 0.04881 0.08130 0.11370 0.14597 0.17810 0.21003 0.24174 0.27320 0.30436 0.33521 0.36570 0.39580 0.42548 0.45471 0.48346 0.51169 0.53939 0.56651 0.59303 0.61893 0.64416 0.66872 0.69256 0.71568 0.73803 0.75960 0.78037 0.80031 0.81940 0.83762 0.85496 0.87139 0.88689 0.90146 0.91507 0.92771 0.93937 0.95003 0.95969 0.96833 0.97594 0.98252 0.98805 0.99254 0.99598 0.99836 0.99969 THE 96 PHI INTEGRATION POINTS 1.00000 0.99999 0.99992 0.99973 0.99930 0.99849 0.99714 0.99505 0.99199 0.98770 0.98191 0.97432 0.96462 0.95246 0.93753 0.91948 0.89797 0.87269 0.84332 0.80959 0.77125 0.72811 0.68002 0.62690 0.56873 0.50557 0.43758 0.36498 0.28813 0.20743 0.12343 0.03673 -0.05194 -0.14181 -0.23198 -0.32155 -0.40952 -0.49489 -0.57664 -0.65374 -0.72521 -0.79009 -0.84752 -0.89668 -0.93688 -0.96756 -0.98826 -0.99869 -0.99869 -0.98826 -0.96756 -0.93688 -0.89668 -0.84752 -0.79009 -0.72521 -0.65374 -0.57664 -0.49489 -0.40952 -0.32155 -0.23198 -0.14180 -0.05194 0.03673 0.12343 0.20743 0.28813 0.36499 0.43758 0.50557 0.56873 0.62690 0.68002 0.72811 0.77125 0.80959 0.84332 0.87269 0.89797 0.91948 0.93753 0.95246 0.96462 0.97432 0.98191 0.98770 0.99199 0.99505 0.99714 0.99849 0.99930 0.99973 0.99992 0.99999 1.00000 MOLECULE A HAS 14 ELECTRONS MOLECULE B HAS 14 ELECTRONS TIME REQUIREMENT FOR THIS CALCULATION WAS 1588.44995 SECONDS. CARBON MONOXIDE CARBON MONOXIDE POTENTIAL. DATE 28-APR-83 TIME 23:04:05 SELF= 0.4936830E+00 SECONDS= 0.1048999E+02 R= 0.2500000E+01 PHI1= 0.0000000E+00 THETA1= 0.0000000E+00 THETA2= 0.0000000E+00 CORRELATION=-0.6442001E-01 COULOMBIC= 0.3586762E+02 EXCHANGE=-0.8772854E+00 KINETIC= 0.1712225E+02 GKSCF= 0.5121285E+02 GKRSCF= 0.5211259E+02 GK= 0.5114843E+02 GKR= 0.5204817E+02 SELF= 0.4936830E+00 SECONDS= 0.8482200E+03 R= 0.2500000E+01 PHI1= 0.0000000E+00 THETA1= 0.0000000E+00 THETA2= 0.1570796E+01 CORRELATION=-0.3424681E-01 COULOMBIC=-0.1538479E+01 EXCHANGE=-0.3553401E+00 KINETIC= 0.3922703E+01 GKSCF= 0.1664450E+01 GKRSCF= 0.2028883E+01 GK= 0.1630203E+01 GKR= 0.1994637E+01 SELF= 0.4936830E+00 SECONDS= 0.9839844E+01 R= 0.2500000E+01 PHI1= 0.0000000E+00 THETA1= 0.0000000E+00 THETA2= 0.3141593E+01 CORRELATION=-0.6466776E-01 COULOMBIC= 0.8038091E+01 EXCHANGE=-0.8422231E+00 KINETIC= 0.1393964E+02 GKSCF= 0.2027173E+02 GKRSCF= 0.2113550E+02 GK= 0.2020706E+02 GKR= 0.2107084E+02 SELF= 0.4936830E+00 SECONDS= 0.8732800E+03 R= 0.2500000E+01 PHI1= 0.0000000E+00 THETA1= 0.1570796E+01 THETA2= 0.0000000E+00 CORRELATION=-0.4081793E-01 COULOMBIC=-0.1667854E+01 EXCHANGE=-0.4162396E+00 KINETIC= 0.4650084E+01 GKSCF= 0.2139099E+01 GKRSCF= 0.2565991E+01 GK= 0.2098281E+01 GKR= 0.2525173E+01 SELF= 0.4936830E+00 SECONDS= 0.8451699E+03 R= 0.2500000E+01 PHI1= 0.0000000E+00 THETA1= 0.1570796E+01 THETA2= 0.1570796E+01 CORRELATION=-0.2294702E-01 COULOMBIC=-0.5118459E+00 EXCHANGE=-0.1888631E+00 KINETIC= 0.1577052E+01 GKSCF= 0.6826463E+00 GKRSCF= 0.8763427E+00 GK= 0.6596993E+00 GKR= 0.8533956E+00 SELF= 0.4936830E+00 SECONDS= 0.1063965E+02 R= 0.2500000E+01 PHI1= 0.0000000E+00 THETA1= 0.3141593E+01 THETA2= 0.0000000E+00 CORRELATION=-0.7504451E-01 COULOMBIC= 0.4367653E+03 EXCHANGE=-0.1271193E+01 KINETIC= 0.3836043E+02 GKSCF= 0.4725508E+03 GKRSCF= 0.4738545E+03 GK= 0.4724758E+03 GKR= 0.4737795E+03 SELF= 0.4936830E+00 SECONDS= 0.1041992E+02 R= 0.2500000E+01 PHI1= 0.1570796E+01 THETA1= 0.0000000E+00 THETA2= 0.0000000E+00 CORRELATION=-0.6442001E-01 COULOMBIC= 0.3586762E+02 EXCHANGE=-0.8772854E+00 KINETIC= 0.1712225E+02 GKSCF= 0.5121285E+02 GKRSCF= 0.5211259E+02 GK= 0.5114843E+02 GKR= 0.5204817E+02 SELF= 0.4936830E+00 SECONDS= 0.8479204E+03 R= 0.2500000E+01 PHI1= 0.1570796E+01 THETA1= 0.0000000E+00 THETA2= 0.1570796E+01 CORRELATION=-0.3424598E-01 COULOMBIC=-0.1538521E+01 EXCHANGE=-0.3553308E+00 KINETIC= 0.3922845E+01 GKSCF= 0.1664569E+01 GKRSCF= 0.2028993E+01 GK= 0.1630323E+01 GKR= 0.1994747E+01 CARBON MONOXIDE CARBON MONOXIDE POTENTIAL. DATE 29-APR-83 TIME 02:18:55 SELF= 0.4936830E+00 SECONDS= 0.9859863E+01 R= 0.2500000E+01 PHI1= 0.1570796E+01 THETA1= 0.0000000E+00 THETA2= 0.3141593E+01 CORRELATION=-0.6466776E-01 COULOMBIC= 0.8038091E+01 EXCHANGE=-0.8422231E+00 KINETIC= 0.1393964E+02 GKSCF= 0.2027173E+02 GKRSCF= 0.2113550E+02 GK= 0.2020706E+02 GKR= 0.2107084E+02 SELF= 0.4936830E+00 SECONDS= 0.8761904E+03 R= 0.2500000E+01 PHI1= 0.1570796E+01 THETA1= 0.1570796E+01 THETA2= 0.0000000E+00 CORRELATION=-0.4081727E-01 COULOMBIC=-0.1667967E+01 EXCHANGE=-0.4162302E+00 KINETIC= 0.4650003E+01 GKSCF= 0.2138924E+01 GKRSCF= 0.2565806E+01 GK= 0.2098107E+01 GKR= 0.2524989E+01 SELF= 0.4936830E+00 SECONDS= 0.8541699E+03 R= 0.2500000E+01 PHI1= 0.1570796E+01 THETA1= 0.1570796E+01 THETA2= 0.1570796E+01 CORRELATION=-0.1952987E-01 COULOMBIC=-0.4559661E+00 EXCHANGE=-0.1547209E+00 KINETIC= 0.1244045E+01 GKSCF= 0.4746779E+00 GKRSCF= 0.6333583E+00 GK= 0.4551480E+00 GKR= 0.6138284E+00 SELF= 0.4936830E+00 SECONDS= 0.1058008E+02 R= 0.2500000E+01 PHI1= 0.1570796E+01 THETA1= 0.3141593E+01 THETA2= 0.0000000E+00 CORRELATION=-0.7504451E-01 COULOMBIC= 0.4367653E+03 EXCHANGE=-0.1271193E+01 KINETIC= 0.3836043E+02 GKSCF= 0.4725508E+03 GKRSCF= 0.4738545E+03 GK= 0.4724758E+03 GKR= 0.4737795E+03 SELF= 0.4936830E+00 SECONDS= 0.1035986E+02 R= 0.2500000E+01 PHI1= 0.3141593E+01 THETA1= 0.0000000E+00 THETA2= 0.0000000E+00 CORRELATION=-0.6442001E-01 COULOMBIC= 0.3586762E+02 EXCHANGE=-0.8772854E+00 KINETIC= 0.1712225E+02 GKSCF= 0.5121285E+02 GKRSCF= 0.5211259E+02 GK= 0.5114843E+02 GKR= 0.5204817E+02 SELF= 0.4936830E+00 SECONDS= 0.8442100E+03 R= 0.2500000E+01 PHI1= 0.3141593E+01 THETA1= 0.0000000E+00 THETA2= 0.1570796E+01 CORRELATION=-0.3424596E-01 COULOMBIC=-0.1538526E+01 EXCHANGE=-0.3553365E+00 KINETIC= 0.3922856E+01 GKSCF= 0.1664564E+01 GKRSCF= 0.2028994E+01 GK= 0.1630318E+01 GKR= 0.1994748E+01 SELF= 0.4936830E+00 SECONDS= 0.9840332E+01 R= 0.2500000E+01 PHI1= 0.3141593E+01 THETA1= 0.0000000E+00 THETA2= 0.3141593E+01 CORRELATION=-0.6466776E-01 COULOMBIC= 0.8038091E+01 EXCHANGE=-0.8422231E+00 KINETIC= 0.1393964E+02 GKSCF= 0.2027173E+02 GKRSCF= 0.2113550E+02 GK= 0.2020706E+02 GKR= 0.2107084E+02 SELF= 0.4936830E+00 SECONDS= 0.8760400E+03 R= 0.2500000E+01 PHI1= 0.3141593E+01 THETA1= 0.1570796E+01 THETA2= 0.0000000E+00 CORRELATION=-0.4081886E-01 COULOMBIC=-0.1667688E+01 EXCHANGE=-0.4162256E+00 KINETIC= 0.4650026E+01 GKSCF= 0.2139235E+01 GKRSCF= 0.2566113E+01 GK= 0.2098416E+01 GKR= 0.2525294E+01 CARBON MONOXIDE CARBON MONOXIDE POTENTIAL. DATE 29-APR-83 TIME 06:03:20 SELF= 0.4936830E+00 SECONDS= 0.8441406E+03 R= 0.2500000E+01 PHI1= 0.3141593E+01 THETA1= 0.1570796E+01 THETA2= 0.1570796E+01 CORRELATION=-0.2220275E-01 COULOMBIC=-0.5480810E+00 EXCHANGE=-0.1819187E+00 KINETIC= 0.1507206E+01 GKSCF= 0.5906320E+00 GKRSCF= 0.7772064E+00 GK= 0.5684293E+00 GKR= 0.7550036E+00 SELF= 0.4936830E+00 SECONDS= 0.1058984E+02 R= 0.2500000E+01 PHI1= 0.3141593E+01 THETA1= 0.3141593E+01 THETA2= 0.0000000E+00 CORRELATION=-0.7504451E-01 COULOMBIC= 0.4367653E+03 EXCHANGE=-0.1271193E+01 KINETIC= 0.3836043E+02 GKSCF= 0.4725508E+03 GKRSCF= 0.4738545E+03 GK= 0.4724758E+03 GKR= 0.4737795E+03 SELF= 0.4936830E+00 SECONDS= 0.9889648E+01 R= 0.3000000E+01 PHI1= 0.0000000E+00 THETA1= 0.0000000E+00 THETA2= 0.0000000E+00 CORRELATION=-0.4753907E-01 COULOMBIC= 0.1917128E+01 EXCHANGE=-0.5491415E+00 KINETIC= 0.7720750E+01 GKSCF= 0.8525542E+01 GKRSCF= 0.9088737E+01 GK= 0.8478004E+01 GKR= 0.9041198E+01 SELF= 0.4936830E+00 SECONDS= 0.8147900E+03 R= 0.3000000E+01 PHI1= 0.0000000E+00 THETA1= 0.0000000E+00 THETA2= 0.1570796E+01 CORRELATION=-0.2197562E-01 COULOMBIC=-0.7359779E+00 EXCHANGE=-0.2016229E+00 KINETIC= 0.1909675E+01 GKSCF= 0.7652912E+00 GKRSCF= 0.9720739E+00 GK= 0.7433155E+00 GKR= 0.9500982E+00 SELF= 0.4936830E+00 SECONDS= 0.9690430E+01 R= 0.3000000E+01 PHI1= 0.0000000E+00 THETA1= 0.0000000E+00 THETA2= 0.3141593E+01 CORRELATION=-0.4428432E-01 COULOMBIC=-0.1628577E+01 EXCHANGE=-0.5241514E+00 KINETIC= 0.7317298E+01 GKSCF= 0.4627004E+01 GKRSCF= 0.5164569E+01 GK= 0.4582720E+01 GKR= 0.5120285E+01 SELF= 0.4936830E+00 SECONDS= 0.8175098E+03 R= 0.3000000E+01 PHI1= 0.0000000E+00 THETA1= 0.1570796E+01 THETA2= 0.0000000E+00 CORRELATION=-0.2994342E-01 COULOMBIC=-0.1221865E+01 EXCHANGE=-0.2797378E+00 KINETIC= 0.2755815E+01 GKSCF= 0.9673158E+00 GKRSCF= 0.1254212E+01 GK= 0.9373724E+00 GKR= 0.1224269E+01 SELF= 0.4936830E+00 SECONDS= 0.8021094E+03 R= 0.3000000E+01 PHI1= 0.0000000E+00 THETA1= 0.1570796E+01 THETA2= 0.1570796E+01 CORRELATION=-0.1444621E-01 COULOMBIC=-0.2195673E+00 EXCHANGE=-0.1013986E+00 KINETIC= 0.7198234E+00 GKSCF= 0.2948639E+00 GKRSCF= 0.3988575E+00 GK= 0.2804177E+00 GKR= 0.3844113E+00 SELF= 0.4936830E+00 SECONDS= 0.9929688E+01 R= 0.3000000E+01 PHI1= 0.0000000E+00 THETA1= 0.3141593E+01 THETA2= 0.0000000E+00 CORRELATION=-0.5007516E-01 COULOMBIC= 0.1135675E+02 EXCHANGE=-0.5663865E+00 KINETIC= 0.8077681E+01 GKSCF= 0.1828716E+02 GKRSCF= 0.1886804E+02 GK= 0.1823708E+02 GKR= 0.1881796E+02 CARBON MONOXIDE CARBON MONOXIDE POTENTIAL. DATE 29-APR-83 TIME 08:13:04 SELF= 0.4936830E+00 SECONDS= 0.9910156E+01 R= 0.3000000E+01 PHI1= 0.1570796E+01 THETA1= 0.0000000E+00 THETA2= 0.0000000E+00 CORRELATION=-0.4753907E-01 COULOMBIC= 0.1917128E+01 EXCHANGE=-0.5491415E+00 KINETIC= 0.7720750E+01 GKSCF= 0.8525542E+01 GKRSCF= 0.9088737E+01 GK= 0.8478004E+01 GKR= 0.9041198E+01