urea (MP2(fc)/6-31G**) + ChelpG SP RMP2-FC 6-31G(d,p) C01 0.0000000000 0.0000000000 0.0000000000 Rank 4 1.1447943435 0.0000000000 0.1627860177 0.0000000000 -0.1174227029 0.0000000000 0.0000000000 0.2147702637 0.0000000000 0.0000000000 -0.4514517479 0.0000000000 0.0000000000 0.0000000000 -1.7578918216 0.0000000000 0.2896125980 0.0000000000 0.0000000000 0.0112548351 0.0000000000 0.0000000000 0.0000000000 -0.5570962336 0.0000000000 O02 2.3837026300 0.0000000000 0.0000000000 Rank 4 -0.9432973732 0.0000000000 0.3964067424 0.0000000000 0.3302489865 0.0000000000 0.0000000000 0.3136883602 0.0000000000 0.0000000000 -0.0617674727 0.0000000000 0.0000000000 0.0000000000 -0.5567138694 0.0000000000 0.0350620093 0.0000000000 0.0000000000 -0.6156676822 0.0000000000 0.0000000000 0.0000000000 1.0692901565 0.0000000000 N03 -1.3224105900 2.1698729000 0.0000000000 Rank 4 -0.7032398248 0.0000000000 0.0971222097 0.0223257344 -0.4094599141 0.0000000000 0.0000000000 0.2267814252 -0.0540072273 0.0000000000 -0.0857313669 -0.0802374866 0.0000000000 0.0000000000 2.0513481203 -0.3089219094 -0.8967796466 0.0000000000 0.0000000000 -0.3635415507 -0.2741894155 0.0000000000 0.0000000000 0.0108184671 -1.2160218300 N04 -1.3224105900 -2.1698729000 0.0000000000 Rank 4 -0.7032398248 0.0000000000 0.0971222097 -0.0223257344 -0.4094599141 0.0000000000 0.0000000000 0.2267814252 0.0540072273 0.0000000000 -0.0857313669 0.0802374866 0.0000000000 0.0000000000 2.0513481203 0.3089219094 -0.8967796466 0.0000000000 0.0000000000 -0.3635415507 0.2741894155 0.0000000000 0.0000000000 0.0108184671 1.2160218300 H05 -0.3832689340 3.8296248800 0.0000000000 Rank 4 0.3189680135 0.0000000000 0.0602681099 0.0979012760 0.0015130789 0.0000000000 0.0000000000 0.0089058984 -0.0188947758 0.0000000000 0.0037060430 0.0089539382 0.0000000000 0.0000000000 -0.0032914010 -0.0003036204 0.0087468839 0.0000000000 0.0000000000 0.0051668117 -0.0065533191 0.0000000000 0.0000000000 -0.0029148867 -0.0003025211 H06 -3.2219374600 2.1431027000 0.0000000000 Rank 4 0.2835233217 0.0000000000 -0.1079818824 0.0010096560 0.0013702413 0.0000000000 0.0000000000 -0.0158238424 0.0008021915 0.0000000000 -0.0102277825 -0.0030041475 0.0000000000 0.0000000000 -0.0017938979 -0.0019164778 0.0040668876 0.0000000000 0.0000000000 -0.0155429240 0.0000182452 0.0000000000 0.0000000000 -0.0063673254 0.0033250818 H07 -0.3832689340 -3.8296248800 0.0000000000 Rank 4 0.3189680135 0.0000000000 0.0602681099 -0.0979012760 0.0015130789 0.0000000000 0.0000000000 0.0089058984 0.0188947758 0.0000000000 0.0037060430 -0.0089539382 0.0000000000 0.0000000000 -0.0032914010 0.0003036204 0.0087468839 0.0000000000 0.0000000000 0.0051668117 0.0065533191 0.0000000000 0.0000000000 -0.0029148867 0.0003025211 H08 -3.2219374600 -2.1431027000 0.0000000000 Rank 4 0.2835233217 0.0000000000 -0.1079818824 -0.0010096560 0.0013702413 0.0000000000 0.0000000000 -0.0158238424 -0.0008021915 0.0000000000 -0.0102277825 0.0030041475 0.0000000000 0.0000000000 -0.0017938979 0.0019164778 0.0040668876 0.0000000000 0.0000000000 -0.0155429240 -0.0000182452 0.0000000000 0.0000000000 -0.0063673254 -0.0033250818