#Order Frag.No. Types mpqc calc compute gradient nuc rep one electron gradient overlap gradient two electron gradient contribution start thread stop thread setup vector density evals extrap fock accum aogmat start thread stop thread init pmax local data setup sum 1 7 8.880000e+00 6.000000e-01 1.400000e-01 0.000000e+00 0.000000e+00 0.000000e+00 1.400000e-01 1.400000e-01 1.400000e-01 0.000000e+00 0.000000e+00 4.300000e-01 0.000000e+00 0.000000e+00 1.000000e-02 2.600000e-01 0.000000e+00 2.300000e-01 2.300000e-01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 2 13 1.242200e+02 5.100000e+00 1.290000e+00 0.000000e+00 6.000000e-02 0.000000e+00 1.210000e+00 1.160000e+00 1.160000e+00 0.000000e+00 6.000000e-02 3.790000e+00 0.000000e+00 2.000000e-02 2.000000e-02 2.490000e+00 0.000000e+00 2.410000e+00 2.400000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 3 18 6.829600e+02 1.988000e+01 5.170000e+00 0.000000e+00 3.500000e-01 5.000000e-02 4.760000e+00 4.640000e+00 4.630000e+00 0.000000e+00 1.300000e-01 1.469000e+01 1.000000e-02 1.100000e-01 9.000000e-02 1.265000e+01 0.000000e+00 1.251000e+01 1.250000e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 4 22 2.040670e+03 4.358000e+01 1.162000e+01 0.000000e+00 6.700000e-01 9.000000e-02 1.085000e+01 1.065000e+01 1.064000e+01 0.000000e+00 2.100000e-01 3.193000e+01 1.000000e-02 1.900000e-01 1.700000e-01 2.892000e+01 0.000000e+00 2.873000e+01 2.872000e+01 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00 0.000000e+00