=============== Cyclopentadiene =============== C 0.00000000 0.00000000 -2.33113051 C 0.00000000 2.22209092 -0.56871188 C 0.00000000 -2.22209092 -0.56871188 C 0.00000000 1.38514451 1.83772922 C 0.00000000 -1.38514451 1.83772922 H 1.66130504 0.00000000 -3.56414299 H -1.66130504 0.00000000 -3.56414299 H 0.00000000 4.16550405 -1.18116624 H 0.00000000 -4.16550405 -1.18116624 H 0.00000000 2.54514584 3.51352303 H 0.00000000 -2.54514584 3.51352303 cc-pVDZ 100 BF Cfour HF -192.808319784581 MP2 -193.471694583002 -0.663374798421 CCSD -193.515557363805186 -0.707237579224683 CC3 -193.544894006853781 -0.736574222273275 CCSDT -193.544566492999309 -0.736246708418799 CC4 -193.546686469127337 -0.738366684546823 CCSDTQ ===== Furan ===== C 0.00000000 2.06365826 -0.60051250 C 0.00000000 -2.06365826 -0.60051250 C 0.00000000 1.35348578 1.86336416 C 0.00000000 -1.35348578 1.86336416 O 0.00000000 0.00000000 -2.13945332 H 0.00000000 3.86337287 -1.53765695 H 0.00000000 -3.86337287 -1.53765695 H 0.00000000 2.59168789 3.47168051 H 0.00000000 -2.59168789 3.47168051 cc-pVDZ 90 BF Cfour HF -228.643312572484575 MP2 -229.350762946309 -0.707450373824 CCSD -229.378285257894248 -0.734972685409664 CC3 -229.409042621239877 -0.765730048755297 CCSDT -229.407644692870491 -0.764332120385917 CC4 -229.410178829371802 -0.766866256888079 CCSDTQ -229.409966781261375 -0.76665420877679 Dalton HF -228.643312572485 MP2 -229.3507629658025451 CC2 -229.360495928343 CCSD -229.3782852538 CC3 -229.4090426487 MRCC HF -228.6433125723933699 MP2 -229.350762954683 CCSD -229.37828519649 -0.734972624097 CC3 -229.409042619076 CCSDT -229.407644699645 CC4 -229.410178825868 CISD -229.260645347830 CISDT -229.27741998 ========= Imidazole ========= C 0.41662795 2.06006259 0.00000000 C -1.52618386 -1.62343163 0.00000000 C 1.04160471 -1.93007427 0.00000000 N -1.90345764 0.94914956 0.00000000 N 2.24215443 0.38083431 0.00000000 H 0.65501634 4.07748278 0.00000000 H -3.57500545 1.84103166 0.00000000 H -3.06363894 -2.94559167 0.00000000 H 2.08673940 -3.67001102 0.00000000 cc-pVDZ 90 BF Cfour HF -224.835356714467 MP2 -225.555786629729 -0.720429915262 CCSD -225.579555600773460 -0.744198886306645 CC3 -225.611468227039040 -0.776111512572204 CCSDT -225.609907888416501 -0.774551173949665 CC4 -225.612560996345906 -0.777204281879068 CCSDTQ ======= Pyrrole ======= C 0.00000000 2.11924634 0.62676569 C 0.00000000 -2.11924634 0.62676569 C 0.00000000 1.34568862 -1.85506908 C 0.00000000 -1.34568862 -1.85506908 N 0.00000000 0.00000000 2.10934391 H 0.00000000 0.00000000 4.00257355 H 0.00000000 3.97648410 1.44830201 H 0.00000000 -3.97648410 1.44830201 H 0.00000000 2.56726559 -3.47837232 H 0.00000000 -2.56726559 -3.47837232 cc-pVDZ 95 BF Cfour HF -208.828614693633 MP2 -209.524336644342 -0.695721950709 CCSD -209.554327546276966 -0.725712852643528 CC3 -209.584885457786328 -0.756270764152895 CCSDT -209.583798415096226 -0.755183721462796 CC4 -209.586191075800997 -0.757576382167585 CCSDTQ ========= Thiophene ========= C 0.00000000 2.33342542 -0.09858421 C 0.00000000 -2.33342542 -0.09858421 C 0.00000000 1.34371718 -2.48297725 C 0.00000000 -1.34371718 -2.48297725 S 0.00000000 0.00000000 2.17250692 H 0.00000000 4.29028016 0.44577296 H 0.00000000 -4.29028016 0.44577296 H 0.00000000 2.48760051 -4.16768392 H 0.00000000 -2.48760051 -4.16768392 cc-pVDZ 94 BF Cfour HF -551.321002444800 MP2 -551.982490121638 -0.661487676839 CCSD -552.015457778804375 -0.694455334004781 CC3 -552.047270750728444 -0.726268305928940 CCSDT -552.046137469176301 -0.725135024376793 CC4 -552.048664989321765 -0.727662544525096 CCSDTQ