# TZ # E(CCSD(T)) Error % # ---------------+------------+------- # ======================= ============== ========== -231.80600113 1.1096E-03 0.96 -231.80526641 7.5354E-04 1.96 -231.80485336 5.8772E-04 2.95 -231.80482981 5.0487E-04 3.94 -231.80502318 4.5959E-04 4.94 -231.80514239 4.1918E-04 5.93 -231.80537695 3.9050E-04 6.92 -231.80527265 3.6123E-04 7.91 -231.80571625 2.7896E-04 8.89 -231.80570511 2.6248E-04 9.89 -231.80579627 2.5255E-04 10.88 -231.80581490 2.4260E-04 11.88 -231.80581200 2.3196E-04 12.87 -231.80574192 2.2274E-04 13.86 -231.80562502 2.1393E-04 14.86 -231.80558975 2.0485E-04 15.84 -231.80553042 1.7558E-04 16.83 -231.80553942 1.7033E-04 17.82 -231.80549697 1.6456E-04 18.81 -231.80547086 1.5909E-04 19.81 -231.80546770 1.5417E-04 20.80 -231.80552013 1.5061E-04 21.80 -231.80547549 1.2978E-04 22.79 -231.80549774 1.2683E-04 23.78 -231.80552164 1.2399E-04 24.78 -231.80550146 1.2080E-04 25.77 -231.80549989 1.1790E-04 26.77 -231.80551552 1.0829E-04 27.76 -231.80555511 1.0626E-04 28.76 -231.80556632 1.0437E-04 29.75 -231.80557085 1.0249E-04 30.74 -231.80555704 1.0022E-04 31.74 -231.80559933 9.3073E-05 32.73 -231.80559305 9.1078E-05 33.72 -231.80559961 8.9306E-05 34.71 -231.80559302 8.7400E-05 35.71 -231.80565053 8.2150E-05 36.70 -231.80563787 8.0623E-05 37.69 -231.80563885 7.9173E-05 38.68 -231.80562510 7.4097E-05 39.67 -231.80564623 7.2987E-05 40.65 -231.80565079 7.1778E-05 41.64 -231.80567224 7.0614E-05 42.63 -231.80563688 6.6405E-05 43.62 -231.80564397 6.5313E-05 44.62 -231.80564845 6.4354E-05 45.61 -231.80565649 6.1555E-05 46.59 -231.80565650 6.0642E-05 47.57 -231.80566933 5.9745E-05 48.55 -231.80569048 5.7261E-05 49.53 -231.80569369 5.6415E-05 50.53 -231.80569608 5.3365E-05 51.52 -231.80571000 5.2570E-05 52.51 -231.80570441 5.1668E-05 53.49 -231.80570572 4.8129E-05 54.48 -231.80571789 4.7430E-05 55.47 -231.80569689 4.3829E-05 56.46 -231.80569251 4.3153E-05 57.45 -231.80570061 4.0326E-05 58.44 -231.80569906 3.9750E-05 59.42 -231.80569793 3.9179E-05 60.41 -231.80572447 3.6631E-05 61.40 -231.80571795 3.3993E-05 62.39 -231.80571782 3.3468E-05 63.38 -231.80571250 3.1127E-05 64.36 -231.80571451 3.0679E-05 65.35 -231.80570921 2.8176E-05 66.33 -231.80571372 2.7818E-05 67.32 -231.80571424 2.6031E-05 68.32 -231.80571882 2.4454E-05 69.30 -231.80571935 2.4073E-05 70.29 -231.80572734 2.2714E-05 71.28 -231.80572650 2.1454E-05 72.27 -231.80573199 2.0309E-05 73.26 -231.80572807 1.9290E-05 74.25 -231.80571950 1.8185E-05 75.24 -231.80572637 1.7282E-05 76.23 -231.80572398 1.6324E-05 77.22 -231.80572181 1.5521E-05 78.21 -231.80573134 1.4806E-05 79.20 -231.80573785 1.3933E-05 80.19 -231.80573547 1.3239E-05 81.18 -231.80573037 1.1991E-05 82.17 -231.80572392 1.1244E-05 83.16 -231.80572608 1.0309E-05 84.15 -231.80572509 9.4780E-06 85.13 -231.80573132 8.7246E-06 86.11 -231.80572873 7.9932E-06 87.09 -231.80572437 7.2487E-06 88.09 -231.80572171 6.2633E-06 89.09 -231.80572438 5.5887E-06 90.08 -231.80572551 4.8008E-06 91.08 -231.80572959 3.9179E-06 92.07 -231.80572837 3.3460E-06 93.07 -231.80572942 2.5853E-06 94.06 -231.80573121 2.0212E-06 95.06 -231.80573135 1.6104E-06 96.06 -231.80573162 1.2243E-06 97.07 -231.80573234 9.6074E-07 98.08 -231.80573217 7.6138E-07 99.10 -231.80573138 0.0 100.00 # QZ # E(CCSD(T)) Error % # ---------------+------------+-------- -231.86977276 2.4458E-03 0.05 -231.86865804 1.6271E-03 0.10 -231.87007174 1.5237E-03 0.15 -231.87001886 1.2983E-03 0.20 -231.86919140 1.1141E-03 0.25 -231.86991929 1.1007E-03 0.30 -231.86999054 1.0658E-03 0.35 -231.87013773 1.0167E-03 0.41 -231.87001851 9.3651E-04 0.46 -231.87000201 9.0618E-04 0.51 -231.87009698 8.6537E-04 0.56 -231.87009048 8.1686E-04 0.61 -231.87041101 7.9607E-04 0.66 -231.87040229 7.5713E-04 0.71 -231.87066270 7.4633E-04 0.76 -231.87036955 7.0943E-04 0.82 -231.87085853 7.2565E-04 0.87 -231.87072241 6.9804E-04 0.92 -231.87085735 6.8064E-04 0.97 -231.87094530 6.5968E-04 1.02 -231.87110253 6.6137E-04 1.07 -231.87092656 6.3867E-04 1.12 -231.87112265 6.4604E-04 1.17 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