D Summary table from output for the example
BER (Be2)
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Summary Table
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Mono A: 2 occupied 8 virtual 10 total
Mono B: 2 occupied 8 virtual 10 total
----------- Molecule A 4 Electron(s)
ATOM XX YY ZZ Charge
1 0.000000000 0.000000000 0.000000000 4.0
----------- Molecule B 4 Electron(s)
2 0.000000000 7.000000000 0.000000000 4.0
E^{HF}_{AB} -21.5579794623086016 hartrees
E^{HF}_{A} -10.7773391618701009 hartrees
E^{HF}_{B} -10.7773391618701009 hartrees
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Correction mHartree Kcal/mol 1/cm
---------- -------- -------- ----
--- SCF (SAPT_super) ---
E^{HF}_{int} -3.301138568 -2.07149746 -724.5162
E^{(10)}_{elst} -3.687513408 -2.31395154 -809.3156
E^{(10)}_{exch} 3.149525953 1.97635903 691.2410
E^{(10)}_{exch}{S^2} 3.135991881 1.96786627 688.2707
E^{(10)}_{exch}-S^2 0.013534072 0.00849277 2.9704
E^{(20)}_{ind} -4.659057533 -2.92360519 -1022.5449
E^{(20)}_{ind,resp} -6.900439657 -4.33009489 -1514.4714
E^{(20)}_{ex-ind} 4.109230703 2.57858336 901.8719
E^{(20)}_{ex-ind,r} 6.033628681 3.78616233 1324.2284
SAPT SCF ^a -1.087814286 -0.68261434 -238.7476
SAPT SCF_{resp} ^b -1.404798432 -0.88152506 -308.3176
\delta^{HF}_{int} -2.213324283 -1.38888312 -485.7685
\delta^{HF}_{int,r} -1.896340137 -1.18997240 -416.1985
--- CORRELATION ---
E^{(12)}_{elst} 0.616739822 0.38701041 135.3587
E^{(13)}_{elst} 0.811463861 0.50920169 178.0957
\eps^{(1)}_{elst}(k) 1.428203683 0.89621209 313.4545
E^{(12)}_{elst,resp} 0.748858176 0.46991599 164.3554
E^{(13)}_{elst,resp} 0.764997350 0.48004349 167.8975
\eps^{(1)}_{elst,r}(k) 1.513855526 0.94995948 332.2529
E^{(11)}_{exch} 0.640864839 0.40214909 140.6536
E^{(12)}_{exch} -0.125792341 -0.07893595 -27.6082
\eps^{(1)}_{exch}(k) 0.515072498 0.32321314 113.0453
\eps^{(1)}_{exch}(CCSD) -0.784465905 -0.49226020 -172.1704
^tE^{(22)}_{ind} 1.081861737 0.67887906 237.4412
^tE^{(22)}_{ex-ind}* -0.945961754 -0.59360046 -207.6146
E^{(20)}_{disp} -1.195076004 -0.74992214 -262.2889
E^{(21)}_{disp} -0.203325820 -0.12758899 -44.6249
E^{(22)}_{disp} 0.473822197 0.29732817 103.9920
\eps^{(2)}_{disp}(k) 0.270496376 0.16973918 59.3671
E^{(2)}_{disp}(k) -0.924579627 -0.58018296 -202.9218
E^{(20)}_{exch-disp} 0.069731391 0.04375715 15.3043
SAPT_{corr} -0.075210475 -0.04719533 -16.5068
SAPT_{corr,resp} 0.010441367 0.00655206 2.2916
--- TOTAL (hybrid) ---
SCF+SAPT_{corr} -3.376349044 -2.11869279 -741.0230
SCF+SAPT_{corr,resp} -3.290697201 -2.06494540 -722.2246
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