157
4-TaAu2H2+ PBE0 TaAu / def2-SVPD // CHN / def2-SVPD
Au       1.5565260000     -0.3932690000      0.4045880000                 
Au      -2.1833280000      0.0777210000     -0.5165910000                 
Ta       0.0601140000      2.0726520000     -0.6134260000                 
N       -4.3730130000     -1.6221470000      0.4898460000                 
N        4.1846420000     -1.7991360000      0.8306900000                 
C        3.0284800000     -1.4532930000      1.3281740000                 
C       -4.7902550000     -0.4657600000      1.2476200000                 
C        4.5716450000     -1.4511340000     -0.5218960000                 
C        1.2508700000      4.3525350000      1.1871190000                 
C        0.0184700000      4.8913180000      0.7675420000                 
C        2.3188470000      5.1964180000      1.4732040000                 
H        3.2730690000      4.7752240000      1.8031150000                 
C       -5.6216190000      0.5055990000      0.6539010000                 
C       -4.2740700000     -0.3127330000      2.5520070000                 
C       -3.2916910000     -1.6051420000     -0.2386990000                 
C        5.2543360000     -0.2368480000     -0.7540490000                 
C       -1.0123550000      3.8750520000      0.4484670000                 
H       -1.9479660000      4.2430710000      0.0175570000                 
C        0.0993220000      2.2229410000      1.7674840000                 
H        0.1484040000      1.3352840000      2.4008520000                 
C        1.2761270000      2.8742520000      1.2448380000                 
H        2.2304890000      2.4170210000      1.5141210000                 
C        4.2033620000     -2.3073910000     -1.5824420000                 
C       -4.0908780000     -3.8554910000     -0.1521500000                 
H       -3.5967900000     -4.4305120000      0.6442550000                 
H       -4.5608570000     -4.5852140000     -0.8260680000                 
C       -0.2732020000      1.7789750000     -3.1028360000                 
C       -1.1185640000      2.7568590000      1.3539790000                 
H       -2.0721670000      2.3071100000      1.6407480000                 
C        2.1712630000      6.5828330000      1.3252370000                 
H        3.0159990000      7.2443570000      1.5316870000                 
C       -6.4035630000     -2.7955360000     -0.3503630000                 
H       -6.1921590000     -2.5193370000     -1.3916770000                 
H       -7.0864640000     -2.0512260000      0.0802580000                 
H       -6.9240890000     -3.7638710000     -0.3574820000                 
C        1.9257040000      1.8231270000     -1.9369110000                 
H        2.8808810000      1.3336460000     -1.7552520000                 
C       -5.1344200000     -2.9255400000      0.4871150000                 
C       -0.1312520000      6.2688330000      0.6441450000                 
H       -1.0900770000      6.6868860000      0.3245820000                 
C        4.7585100000      2.0382720000      0.1884370000                 
H        4.9809610000      2.5613940000     -0.7551560000                 
H        4.9741090000      2.7364660000      1.0119780000                 
H        3.6835930000      1.8129990000      0.2045930000                 
C        1.1786090000     -0.1856190000     -3.2508300000                 
H        2.1284800000     -0.6652900000     -3.0054890000                 
C        5.5937510000      0.7665710000      0.3334600000                 
H        5.3207770000      0.3215990000      1.2968670000                 
C       -3.2353930000     -1.2451430000      3.1530190000                 
H       -3.1331560000     -2.1177530000      2.4922080000                 
C       -1.2406220000      1.0765330000     -3.8657530000                 
H       -2.1856020000      1.5746760000     -4.0945660000                 
C       -6.0407640000      0.4820250000     -0.8056630000                 
H       -5.6729170000     -0.4525600000     -1.2502880000                 
C       -5.5200270000     -3.3544030000      1.8965490000                 
H       -6.0822820000     -4.2974710000      1.8378910000                 
H       -6.1644110000     -2.6066550000      2.3819930000                 
H       -4.6424430000     -3.5293210000      2.5312910000                 
C       -5.9999680000      1.5994840000      1.4399640000                 
H       -6.6478130000      2.3654000000      1.0078420000                 
C        5.0801610000     -2.6081090000      1.7509490000                 
C        0.9570450000      1.1348250000     -2.7862120000                 
C       -0.5304400000      3.0974400000     -2.5376260000                 
H       -1.4738950000      3.5905470000     -2.7685100000                 
C       -1.8657080000     -0.5627460000      3.1909300000                 
H       -1.8923160000      0.3505800000      3.8057460000                 
H       -1.5319320000     -0.2829130000      2.1791740000                 
H       -1.1123230000     -1.2378570000      3.6263070000                 
C        0.2333720000     -0.8322350000     -4.0147080000                 
H        0.4259580000     -1.8430860000     -4.3816360000                 
C        0.5926900000      3.8700090000     -2.0865750000                 
H        0.4722560000      4.9308250000     -1.8596770000                 
C        4.2197450000     -2.6812040000      3.0285520000                 
H        4.0349290000     -3.7283480000      3.3055610000                 
H        4.7538330000     -2.2268640000      3.8744310000                 
C        5.3639220000     -3.9824600000      1.1549370000                 
H        6.0265070000     -4.5313540000      1.8391600000                 
H        5.8775860000     -3.8975650000      0.1869520000                 
H        4.4531430000     -4.5793900000      1.0214380000                 
C       -4.6796610000      0.8055470000      3.2855820000                 
H       -4.2954170000      0.9495140000      4.2978290000                 
C        7.0844450000      1.1052300000      0.3734020000                 
H        7.7152250000      0.2083460000      0.4484600000                 
H        7.3045170000      1.7496330000      1.2382540000                 
H        7.3965110000      1.6545530000     -0.5279930000                 
C        2.6698880000     -0.7309200000      3.6903210000                 
H        1.6715130000     -0.3168190000      3.4714880000                 
H        2.6178430000     -1.1301410000      4.7173540000                 
C       -3.6335110000     -1.7543000000      4.5381110000                 
H       -2.9081350000     -2.5017070000      4.8948590000                 
H       -4.6301630000     -2.2191150000      4.5330390000                 
H       -3.6514040000     -0.9407790000      5.2792440000                 
C        1.7942910000      3.2412240000     -1.7834910000                 
H        2.5975180000      3.8205980000     -1.3233460000                 
C        0.9535780000      7.1152910000      0.9147890000                 
H        0.8403480000      8.1957700000      0.7985020000                 
C        4.5738550000     -1.9384960000     -2.8799020000                 
H        4.3019970000     -2.5882390000     -3.7148790000                 
C        5.2642140000     -0.7597050000     -3.1299230000                 
H        5.5395140000     -0.4903700000     -4.1520320000                 
C       -7.5593950000      0.5298020000     -0.9796060000                 
H       -8.0708270000     -0.2635820000     -0.4155400000                 
H       -7.8278410000      0.4197130000     -2.0414060000                 
H       -7.9709500000      1.4918870000     -0.6377310000                 
C        5.5894280000      0.0819300000     -2.0745100000                 
H        6.1137490000      1.0183920000     -2.2771220000                 
C       -5.5495410000      1.7453990000      2.7454090000                 
H       -5.8592470000      2.6090210000      3.3382970000                 
C        6.4137190000     -1.9086910000      1.9834160000                 
H        6.2988030000     -0.9367700000      2.4790030000                 
H        6.9583720000     -1.7651150000      1.0398370000                 
H        7.0319890000     -2.5438340000      2.6337070000                 
C        3.3761730000     -3.5674200000     -1.4032230000                 
H        3.2449530000     -3.7336690000     -0.3280600000                 
C        1.9776690000     -3.3922360000     -1.9948930000                 
H        1.4483890000     -2.5437220000     -1.5353990000                 
H        1.3778600000     -4.3006300000     -1.8360920000                 
H        2.0246380000     -3.2136840000     -3.0803630000                 
C        2.8935650000     -1.9383040000      2.7499300000                 
C       -0.9866970000     -0.1959340000     -4.3261940000                 
H       -1.7319890000     -0.7152080000     -4.9330970000                 
C        1.6508380000     -2.8472970000      2.8818390000                 
H        1.6180790000     -3.1959640000      3.9279460000                 
H        0.7601040000     -2.2145780000      2.7363520000                 
C       -5.3776210000      1.6287740000     -1.5752520000                 
H       -5.7156970000      2.6085750000     -1.2035930000                 
H       -5.6349650000      1.5698330000     -2.6443100000                 
H       -4.2814830000      1.5920970000     -1.4815340000                 
C        1.5676250000     -4.0279570000      1.9319250000                 
H        2.4375950000     -4.6976090000      2.0116920000                 
H        1.4882350000     -3.6892120000      0.8879900000                 
H        0.6759170000     -4.6347560000      2.1477390000                 
C        3.6923120000      0.3887290000      3.6145960000                 
H        4.7143710000      0.0414970000      3.8310050000                 
H        3.4572270000      1.1749400000      4.3463470000                 
H        3.6948380000      0.8605760000      2.6206630000                 
C        4.0555580000     -4.8048880000     -1.9906670000                 
H        4.1230790000     -4.7460810000     -3.0878420000                 
H        3.4752810000     -5.7086600000     -1.7489100000                 
H        5.0751590000     -4.9425880000     -1.6041700000                 
C       -3.0557320000     -2.9592250000     -0.8646480000                 
C       -1.5957940000     -3.3643450000     -0.5493940000                 
H       -0.9297090000     -2.7641250000     -1.1913210000                 
H        0.0721160000      0.1657570000     -0.2418760000                 
H       -1.7765520000      1.6982040000     -0.8996460000                 
C       -3.3205200000     -2.7677420000     -2.3770660000                 
H       -4.3624420000     -2.4273760000     -2.4993300000                 
H       -2.6949880000     -1.9245460000     -2.7164760000                 
C       -3.0799440000     -3.9679350000     -3.2790640000                 
H       -2.0101390000     -4.2035260000     -3.3689480000                 
H       -3.4514310000     -3.7569940000     -4.2929250000                 
H       -3.5969560000     -4.8728220000     -2.9234680000                 
C       -1.2528390000     -4.8443080000     -0.6586880000                 
H       -0.2191050000     -5.0128330000     -0.3247700000                 
H       -1.3360790000     -5.2309390000     -1.6821660000                 
H       -1.8955540000     -5.4675450000     -0.0188890000                 
H       -1.3723180000     -3.0341220000      0.4810500000                                                                 