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

Ag Carbene - Alcane -- PROJECT

0 1
47       5.615000000     -1.009946000     10.066426000
35       8.339459000      1.496256000      5.142310000
35      -0.544883000     -0.678468000      8.247027000
35       5.819138000      3.973662000     13.856319000
9        7.914332000     -1.594248000      5.810870000
9        6.424908000     -2.354362000      7.208290000
9        8.280055000     -1.512462000      7.957603000
9        6.886242000      4.082794000      5.968894000
9        6.099122000      4.268876000      7.988092000
9        4.750367000      3.892642000      6.321471000
9        0.902395000     -1.829051000     11.398386000
9        2.940761000     -2.483479000     11.009150000
9        1.334282000     -3.028134000      9.640645000
9        0.409586000      1.856672000      6.742452000
9        2.527844000      2.253029000      6.445532000
9        1.436152000      3.283457000      8.022046000
9        6.625166000      0.519980000     13.987786000
9        8.225812000      1.715093000     13.132953000
9        7.620627000     -0.139439000     12.166528000
9        3.657768000      5.129971000     11.967075000
9        2.594877000      3.887609000     10.532815000
9        4.280648000      5.103533000      9.885228000
6        6.167171000     -3.007566000     10.107508000
7        5.709054000      0.157372000      7.962844000
7        5.368907000      1.454151000      7.935838000
7        3.199175000     -0.111825000      9.772905000
7        3.108838000      0.972985000      8.983207000
7        5.756010000      1.253698000     10.820478000
7        4.898289000      2.163076000     10.320205000
6        6.689899000     -0.018673000      7.078357000
6        7.011483000      1.203603000      6.456576000
6        6.137374000      2.123376000      7.035124000
6        7.331120000     -1.371308000      6.995857000
6        5.967829000      3.601032000      6.819625000
6        2.061569000     -0.787147000      9.632353000
6        1.198189000     -0.128975000      8.732410000
6        1.912363000      0.995046000      8.332537000
6        1.809521000     -2.032262000     10.423869000
6        1.563288000      2.103306000      7.381925000
6        6.164872000      1.708631000     12.003810000
6        5.550171000      2.940161000     12.297548000
6        4.740977000      3.193289000     11.194025000
6        7.163465000      0.949331000     12.825152000
6        3.816037000      4.340220000     10.893816000
8        5.057398000     -4.901262000     10.900351000
6        5.187130000     -4.096287000      9.994262000
5        4.273497000      1.993479000      8.902882000
1        3.879254000      3.034316000      8.514838000
1        7.186964000     -3.355032000      9.906641000
8        4.479737000     -4.031783000      8.873059000
6        3.455134000     -5.059962000      8.676147000
1        2.774439000     -5.025139000      9.528699000
1        3.948118000     -6.036512000      8.658384000
6        2.759725000     -4.736372000      7.372752000
1        1.980449000     -5.481085000      7.182184000
1        2.289485000     -3.751383000      7.423694000
1        3.465249000     -4.750398000      6.536985000
1        4.467848000     -2.977992000     12.867517000
6        5.280082000     -2.660093000     13.525772000
1        5.359578000     -1.568808000     13.479874000
6        6.600630000     -3.323896000     13.143434000
1        6.835304000     -3.046633000     12.091499000
1        6.484920000     -4.412317000     13.125344000
6        7.772459000     -2.911221000     14.032561000
1        8.712156000     -3.369807000     13.705709000
1        7.592709000     -3.224021000     15.068700000
1        7.904434000     -1.825727000     14.033791000
1        5.000910000     -2.922751000     14.553445000

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O F 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ









