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

Ag Carbene - Alcane -- PROJECT

0 1
47      -0.346858871     -0.053338484      0.759926387
6       -2.287058000     -0.230586871      1.282293129
7        0.997277258      1.644300258     -0.179158742
7        2.331202258      1.681447129      0.058759129
7        1.556208000     -1.208959742      0.114080000
7        2.776562129     -0.770234000      0.500563871
7        1.285287387      0.180006000      2.789030129
7        2.439534387      0.799051871      2.456898000
5        3.015948258      0.675586000      1.025515000
6        0.717294387      2.427892258     -1.213292742
6        1.908938387      3.019835129     -1.710474871
6        2.923153387      2.520792000     -0.850698871
6        1.651329742     -2.467187742     -0.289067000
6        2.983589742     -2.924872000     -0.146683129
6        3.682425871     -1.797901000      0.361716871
6        1.095930387      0.326951000      4.089900129
6        2.154594387      1.087527871      4.667778129
6        3.000642387      1.374279871      3.567891000
1        4.176017258      0.891446871      1.041978000
6        4.168362387      2.139104871      3.737660000
6        4.471012387      2.580609871      5.010798000
6        2.488067387      1.539838000      5.958144000
6        3.640357387      2.284498871      6.118130000
6        4.264041387      2.922535871     -1.016928000
6        4.555864387      3.777229871     -2.060957000
6        2.237336387      3.879350129     -2.774420871
6        3.548859516      4.257019871     -2.937064000
6        5.055240000     -1.877824258      0.642506742
6        5.694997742     -3.083506258      0.406272742
6        3.652097613     -4.144241000     -0.367748129
6        5.000558613     -4.208364258     -0.092957258
9        5.253058387      2.511218742     -0.215999000
9        5.810437516      4.183976613     -2.260978129
9        3.912771516      5.072331871     -3.934069000
9        1.305248387      4.330473129     -3.621253871
9        1.706283387      1.273349000      7.012503000
9        3.998079387      2.742861000      7.323082000
9        5.562359516      3.317079871      5.222691000
9        4.967304387      2.461748871      2.709878000
9        5.756020129     -0.852968258      1.139702742
9        7.000077742     -3.205907516      0.667676613
9        5.684020484     -5.346508258     -0.281918258
9        2.999662484     -5.220044000     -0.815357129
6        0.437297613     -3.214176613     -0.747956871
9       -0.522539258     -2.353435484     -1.204746742
9        0.754552484     -4.064058742     -1.755567871
6       -0.659709613      2.482034387     -1.799721742
9       -1.611776613      2.204988516     -0.860630742
9       -0.915136613      3.712167387     -2.306776871
6       -0.090120742     -0.292331742      4.761117000
9       -0.665317742     -1.224616871      3.951845000
9        0.290128871     -0.893954613      5.923892129
6       -0.215089387     -4.050126613      0.372918258
9       -0.592391258     -3.239350613      1.383287258
9       -1.295183387     -4.700524484     -0.076734742
9        0.668118613     -4.942582613      0.848379129
6       -1.211049613      0.707913516      5.122286613
9       -2.197960129      0.095918775      5.782960096
9       -0.735229613      1.709136258      5.874910871
9       -1.720389967      1.233009775      3.985144484
6       -0.852590742      1.453161387     -2.939861742
9        0.009580258      1.720067258     -3.934406742
9       -0.613718742      0.210979387     -2.479097742
9       -2.099918742      1.503792387     -3.419455613
1       -2.692683258     -0.202120387      2.299510000
7       -1.246118649      3.406123775      1.940920709
7       -2.202718164      2.841721773      1.768905967
6       -3.434562613     -0.294088162      0.312830871
9       -3.061700613     -0.217141484     -0.972262000
9       -4.031845773     -1.499230453      0.507897967
9       -4.324438807      0.696124385      0.548815129

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

Ag 0
LANL2DZ


