156
3-TaAu2H++ PBE0  TaAu / def2-SVPD // CHN / def2-SVPD
Au       1.3200500000     -0.3215180000      0.2901100000                 
Au      -1.4972640000     -0.1963620000     -0.3389080000                 
Ta       0.1908200000      2.2897180000     -0.2153890000                 
N       -4.0568470000     -1.5688110000      0.3374320000                 
N        3.8239770000     -1.9789540000      0.5753490000                 
C        2.6321720000     -1.7383800000      1.0482620000                 
C       -4.3365260000     -0.4728350000      1.2374340000                 
C        4.3217930000     -1.2913520000     -0.5991710000                 
C        0.9848830000      3.8441240000      1.5649390000                 
C       -0.1916060000      4.4403270000      1.0029310000                 
C        2.1686460000      4.6295800000      1.6822840000                 
H        3.0587600000      4.1695200000      2.1158080000                 
C       -4.9513630000      0.7014060000      0.7496130000                 
C       -3.9404970000     -0.5997340000      2.5864410000                 
C       -2.9500930000     -1.6444190000     -0.3494350000                 
C        5.0386800000     -0.0847690000     -0.4381110000                 
C       -1.3821950000      3.6330610000      0.8283520000                 
H       -2.2796830000      4.0834650000      0.4051230000                 
C       -0.3240630000      1.8280330000      2.0960380000                 
H       -0.3920990000      0.8497060000      2.5682370000                 
C        0.9540570000      2.4502540000      1.9488580000                 
H        1.8318820000      2.0027390000      2.4105480000                 
C        4.0115210000     -1.8044740000     -1.8773960000                 
C       -4.1384000000     -3.6865370000     -0.6653300000                 
H       -3.7555420000     -4.4417300000      0.0369940000                 
H       -4.6991390000     -4.2271700000     -1.4398060000                 
C       -0.3450410000      2.6747280000     -2.7309610000                 
C       -1.4719630000      2.4164060000      1.5597180000                 
H       -2.4242040000      1.8826240000      1.6005030000                 
C        2.1720820000      5.9494300000      1.3068290000                 
H        3.0719990000      6.5537270000      1.4404500000                 
C       -6.2340580000     -2.2245070000     -0.7122150000                 
H       -5.9513390000     -1.8136540000     -1.6893610000                 
H       -6.8059220000     -1.4672440000     -0.1605620000                 
H       -6.9020580000     -3.0788390000     -0.8905870000                 
C        1.6594990000      1.3937730000     -2.0180000000                 
H        2.2756090000      0.4955230000     -2.0898250000                 
C       -5.0371890000     -2.7060810000      0.1019710000                 
C       -0.1404740000      5.8040650000      0.5942690000                 
H       -1.0446960000      6.2630940000      0.1874690000                 
C        4.5742760000      1.8341230000      1.1248480000                 
H        4.9034230000      2.6214210000      0.4267220000                 
H        4.7422550000      2.2139100000      2.1450400000                 
H        3.4948090000      1.6731460000      0.9854750000                 
C       -0.0845930000      0.3450930000     -3.4665260000                 
H        0.4969090000     -0.5755800000     -3.4730910000                 
C        5.3515950000      0.5364540000      0.9116120000                 
H        5.0061810000     -0.1574140000      1.6856160000                 
C       -3.1679780000     -1.7917440000      3.1225670000                 
H       -3.1409830000     -2.5627410000      2.3404310000                 
C       -1.5817200000      2.7266160000     -3.4392150000                 
H       -2.1572790000      3.6543730000     -3.4213010000                 
C       -5.2933150000      0.9472280000     -0.7099570000                 
H       -5.0315980000      0.0446170000     -1.2781830000                 
C       -5.5526780000     -3.2883980000      1.4109640000                 
H       -6.2756670000     -4.0830740000      1.1778510000                 
H       -6.0742650000     -2.5302120000      2.0132750000                 
H       -4.7543850000     -3.7375590000      2.0141070000                 
C       -5.2183360000      1.7227410000      1.6696260000                 
H       -5.7094630000      2.6345670000      1.3224400000                 
C        4.6262700000     -3.0401840000      1.3182540000                 
C        0.4188070000      1.4601790000     -2.7392500000                 
C        0.1650340000      3.8104520000     -2.0269940000                 
H       -0.4009080000      4.7420880000     -2.0327360000                 
C       -1.7156760000     -1.4050110000      3.3993160000                 
H       -1.6507230000     -0.5929570000      4.1411330000                 
H       -1.2182810000     -1.0756070000      2.4729920000                 
H       -1.1566210000     -2.2644300000      3.7974290000                 
C       -1.2467620000      0.4481830000     -4.1846750000                 
H       -1.5905950000     -0.3950830000     -4.7870680000                 
C        1.4788970000      3.7826190000     -1.5096210000                 
H        1.9039390000      4.6856850000     -1.0688330000                 
C        3.6810870000     -3.3608200000      2.4931250000                 
H        3.4886660000     -4.4404050000      2.5507850000                 
H        4.1554240000     -3.0835070000      3.4442470000                 
C        4.8867430000     -4.2430500000      0.4178180000                 
H        5.4787210000     -4.9779480000      0.9813270000                 
H        5.4694990000     -3.9580120000     -0.4692650000                 
H        3.9639010000     -4.7389220000      0.0943060000                 
C       -4.2251860000      0.4584800000      3.4554120000                 
H       -3.9343570000      0.3806680000      4.5052410000                 
C        6.8488520000      0.7715540000      1.1150580000                 
H        7.4392400000     -0.1392330000      0.9467040000                 
H        7.0456710000      1.1182230000      2.1409720000                 
H        7.2325270000      1.5437120000      0.4308750000                 
C        2.0536850000     -1.6223690000      3.4646750000                 
H        1.0783970000     -1.1511450000      3.2620590000                 
H        1.9069410000     -2.2579350000      4.3537040000                 
C       -3.8156110000     -2.4023620000      4.3656110000                 
H       -3.2924270000     -3.3264930000      4.6543620000                 
H       -4.8739290000     -2.6477290000      4.1997660000                 
H       -3.7652110000     -1.7192900000      5.2269600000                 
C        2.2137480000      2.5759310000     -1.4802790000                 
H        3.2058780000      2.5443850000     -1.0349680000                 
C        1.0049480000      6.5425040000      0.7580530000                 
H        1.0184040000      7.5976950000      0.4760680000                 
C        4.4514610000     -1.0862680000     -2.9951650000                 
H        4.2286300000     -1.4676530000     -3.9942260000                 
C        5.1682560000      0.0965520000     -2.8611520000                 
H        5.5092600000      0.6350920000     -3.7482400000                 
C       -6.7821270000      1.2355240000     -0.9171600000                 
H       -7.4263990000      0.4642890000     -0.4735300000                 
H       -7.0154620000      1.2957980000     -1.9909500000                 
H       -7.0685480000      2.1982990000     -0.4670940000                 
C        5.4532070000      0.5878380000     -1.5928330000                 
H        6.0194140000      1.5170100000     -1.4928760000                 
C       -4.8736480000      1.6041100000      3.0101760000                 
H       -5.1025070000      2.4116040000      3.7093010000                 
C        5.9731890000     -2.5048270000      1.7862210000                 
H        5.8774310000     -1.6890430000      2.5134460000                 
H        6.5861770000     -2.1638960000      0.9402720000                 
H        6.5163210000     -3.3228200000      2.2802830000                 
C        3.1924890000     -3.0619760000     -2.1024210000                 
H        3.0167010000     -3.5258230000     -1.1262900000                 
C        1.8169700000     -2.7304130000     -2.6780860000                 
H        1.2655740000     -2.0467430000     -2.0125510000                 
H        1.2180030000     -3.6466310000     -2.7957720000                 
H        1.9045230000     -2.2646510000     -3.6729800000                 
C        2.3733850000     -2.5648460000      2.2815490000                 
C       -2.0077000000      1.6476860000     -4.1645850000                 
H       -2.9343650000      1.7078210000     -4.7394190000                 
C        1.1357960000     -3.4635080000      2.0652500000                 
H        0.9335580000     -3.9647260000      3.0267870000                 
H        0.2757570000     -2.8020050000      1.8725310000                 
C       -4.4556140000      2.0918100000     -1.2851760000                 
H       -4.6755370000      3.0431350000     -0.7750010000                 
H       -4.6856090000      2.2313470000     -2.3524840000                 
H       -3.3783560000      1.8932770000     -1.1939690000                 
C        1.2199970000     -4.4976050000      0.9583230000                 
H        2.0596880000     -5.1943460000      1.0944600000                 
H        1.3180670000     -4.0257280000     -0.0310490000                 
H        0.3066440000     -5.1088700000      0.9382000000                 
C        3.0763620000     -0.5401630000      3.7634450000                 
H        4.0722050000     -0.9512060000      3.9886390000                 
H        2.7705500000      0.0499140000      4.6396750000                 
H        3.1854040000      0.1522980000      2.9149970000                 
C        3.9167810000     -4.0817520000     -2.9815590000                 
H        4.0328510000     -3.7188960000     -4.0141950000                 
H        3.3434300000     -5.0199820000     -3.0289000000                 
H        4.9202390000     -4.3172120000     -2.6001290000                 
C       -2.9605490000     -2.8722130000     -1.2312190000                 
C       -1.6043470000     -3.5905700000     -1.0806250000                 
H       -0.8437660000     -2.9871480000     -1.6024810000                 
H       -1.3673950000      1.5429220000     -0.7677410000                 
C       -3.2046110000     -2.3269200000     -2.6604270000                 
H       -4.1472400000     -1.7559360000     -2.6522340000                 
H       -2.4179320000     -1.5814430000     -2.8602730000                 
C       -3.2497990000     -3.3347070000     -3.7987590000                 
H       -2.2611990000     -3.7636980000     -4.0125620000                 
H       -3.5968720000     -2.8437550000     -4.7202470000                 
H       -3.9418190000     -4.1664000000     -3.5971730000                 
C       -1.5336080000     -5.0422130000     -1.5336180000                 
H       -0.5231570000     -5.4404370000     -1.3590960000                 
H       -1.7549610000     -5.1724370000     -2.5997330000                 
H       -2.2299680000     -5.6839000000     -0.9732430000                 
H       -1.3239610000     -3.5461380000     -0.0140320000                                                           