%nproc=24
%mem=120GB
#p opt=(CalcFC) SCRFDef=AsymmetricIEFPCM freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane)

Ag Carbene - Alcane -- PROJECT

0 1
9        6.813206000     -0.744872000      4.262050000
9        4.641497000     -0.931596000      4.645388000
9        0.231782000     -2.122259000     10.002139000
9        2.338751000     -2.265393000     10.643436000
9        6.944892000      1.068799000     13.829785000
9        6.905257000     -0.425031000     12.203810000
7        4.871167000      0.547084000      6.894512000
7        5.237945000      1.443880000      7.837132000
7        2.938549000     -0.037801000      9.220398000
7        2.889465000      1.186976000      8.651389000
7        5.287061000      1.167487000     10.738235000
7        4.614736000      2.194147000     10.171781000
6        5.963660000      0.135295000      6.273057000
6        7.123975000      0.755714000      6.815584000
6        6.600429000      1.620113000      7.816744000
6        5.868681000     -0.926549000      5.227554000
6        1.772153000     -0.638769000      9.035184000
6        0.902727000      0.190985000      8.280862000
6        1.671236000      1.366427000      8.058302000
6        1.518661000     -2.008063000      9.579628000
6        5.502173000      1.453943000     12.013072000
6        4.937398000      2.715872000     12.339485000
6        4.375602000      3.160255000     11.111722000
6        6.147135000      0.451471000     12.917146000
5        4.131285000      2.117030000      8.705470000
1        3.845854000      3.203192000      8.318798000
6        8.510766000      0.638621000      6.636579000
6        9.347850000      1.397209000      7.424396000
6        8.825679000      2.288820000      8.387817000
6        7.465509000      2.418917000      8.586265000
6        3.704814000      4.394987000     11.041066000
6        4.828481000      3.501375000     13.499295000
6        4.173702000      4.710857000     13.417803000
6        3.616693000      5.150049000     12.193542000
6       -0.396331000      0.076977000      7.757636000
6        1.130779000      2.442961000      7.330109000
6       -0.151131000      2.309233000      6.836315000
6       -0.914370000      1.135106000      7.044714000
9       -1.117670000     -1.038556000      7.929873000
9       -2.145874000      1.075916000      6.521440000
9       -0.703109000      3.302106000      6.130460000
9        1.817140000      3.567813000      7.091981000
9        5.333598000      3.088845000     14.668265000
9        4.038701000      5.494447000     14.495966000
9        2.981285000      6.327237000     12.174963000
9        3.139907000      4.845933000      9.911785000
9        9.030825000     -0.239590000      5.767099000
9       10.680289000      1.259669000      7.329593000
9        9.683375000      3.011426000      9.117670000
9        7.019066000      3.292013000      9.502210000
6        6.085509000     -2.346749000      5.796468000
9        7.308095000     -2.449478000      6.352220000
9        5.170506000     -2.591814000      6.759740000
9        5.965959000     -3.282757000      4.851405000
6        1.754102000     -3.137349000      8.550418000
9        1.018140000     -2.916034000      7.454042000
9        3.055074000     -3.169215000      8.197451000
9        1.426503000     -4.332527000      9.058513000
6        5.109976000     -0.376248000     13.717652000
9        4.343125000      0.452184000     14.447210000
9        4.301836000     -1.049989000     12.866735000
9        5.702298000     -1.247461000     14.531074000
1        6.657277208     -4.458399214      7.965073705
1        4.940729792     -4.872481884      8.461473202
6        5.950188457     -4.596649919      8.781134121
1        6.328893832     -5.251104457      9.556826208
1        5.754255503     -3.547685393      9.121587289
6        6.306087584     -2.845663202     10.199572087
6        5.722035792     -3.477907792     11.417152584
8        6.213043000     -3.276802208     12.512580584
8        4.558808584     -4.122525000     11.216280000
6        3.848536792     -4.508116000     12.427413000
1        4.515616000     -5.112029000     13.047461000
1        3.605786792     -3.597549000     12.980679208
6        2.609645000     -5.273866000     12.009320000
1        2.069903792     -5.601116208     12.901268000
1        2.877410000     -6.158842000     11.423652000
1        1.949350792     -4.647512000     11.411430000
47       5.010168000     -1.081075792      9.805784000
6        7.768605208     -2.793417208     10.052830584
6        8.330624000     -1.857350000      9.163146000
6        8.638135000     -3.629283792     10.784876000
6        9.708960208     -1.751121000      9.010373000
6       10.017603000     -3.510665792     10.646879000
6       10.554378208     -2.575006000      9.756565000
1        7.669029208     -1.212393000      8.595796792
1        8.227971000     -4.346572000     11.486210792
1       10.130809000     -1.029167000      8.318308000
1       10.674227000     -4.148167792     11.231320000
1       11.631324208     -2.487449000      9.646673000

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

Ag 0
LANL2DZ









