%nproc=32
%mem=120GB
#p opt freq B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane) SCRFDef=AsymmetricIEFPCM

Ag Carbene - Alcane -- PROJECT

0 1
47      -0.353224000      0.046311000      0.587828000
7        0.995930000      1.790165000     -0.165830000
7        2.335682000      1.602626000     -0.215555000
7        1.807860000     -1.267888000     -0.229980000
7        2.955776000     -0.803337000      0.308000000
7        1.193928000      0.277544000      2.409826000
7        2.431749000      0.773897000      2.181497000
5        3.080087000      0.666411000      0.774097000
6        0.660971000      2.720098000     -1.049877000
6        1.807280000      3.166772000     -1.753704000
6        2.868418000      2.414836000     -1.180078000
6        1.905348000     -2.584796000     -0.340905000
6        3.155405000     -3.042613000      0.160522000
6        3.800534000     -1.848412000      0.579732000
6        0.894425000      0.446606000      3.689056000
6        1.960332000      1.098262000      4.363087000
6        2.940321000      1.279307000      3.348107000
1        4.216002000      0.984471000      0.836309000
6        4.176286000      1.881658000      3.649911000
6        4.388428000      2.303703000      4.947072000
6        2.197248000      1.550862000      5.672866000
6        3.407456000      2.144736000      5.955334000
6        4.187877000      2.579532000     -1.641867000
6        4.407830000      3.488998000     -2.656637000
6        2.057279000      4.081690000     -2.791366000
6        3.352858000      4.239772000     -3.230355000
6        5.071741000     -1.893198000      1.179583000
6        5.671295000     -3.127945000      1.331685000
6        3.789465000     -4.285776000      0.321672000
6        5.038891000     -4.319737000      0.903166000
9        5.214461000      1.870996000     -1.153016000
9        5.642240000      3.670413000     -3.135356000
9        3.645395000      5.093269000     -4.218725000
9        1.063378000      4.777239000     -3.355713000
9        1.271060000      1.423455000      6.629995000
9        3.682427000      2.594358000      7.185906000
9        5.543635000      2.888800000      5.278520000
9        5.131171000      2.068769000      2.729424000
9        5.694105000     -0.790031000      1.621437000
9        6.875814000     -3.222983000      1.905531000
9        5.681012000     -5.480961000      1.085862000
9        3.195598000     -5.421794000     -0.066113000
6        0.749753000     -3.387003000     -0.838527000
9       -0.119002000     -2.596269000     -1.538103000
9        1.164162000     -4.394629000     -1.651570000
6       -0.761039000      3.161962000     -1.190808000
9       -1.452598000      2.888457000     -0.046169000
9       -0.818331000      4.500277000     -1.417015000
6       -0.443546000      0.032996000      4.216530000
9       -0.965890000     -0.976421000      3.460020000
9       -0.338040000     -0.407858000      5.496493000
6       -0.072878000     -4.048295000      0.297082000
9       -0.479849000     -3.108342000      1.186123000
9       -1.162200000     -4.648442000     -0.195267000
9        0.672398000     -4.943151000      0.950870000
6       -1.472478000      1.189774000      4.217753000
9       -2.663063000      0.772569000      4.654260000
9       -1.030122000      2.174618000      5.014306000
9       -1.616332000      1.682218000      2.970534000
6       -1.517959000      2.476193000     -2.352194000
9       -0.889864000      2.725121000     -3.509825000
9       -1.547045000      1.142489000     -2.157257000
9       -2.775458000      2.922626000     -2.428844000

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-C N H B F 0
6-31G(d,p)
****

Ag 0
LANL2DZ


