 &gateway
Coord
  95
H2bridge  coordinates  in  Angstrom
 W                  4.84494500    1.04141800   -1.50484100
 W                 -2.14003300   -0.55272100    3.51687900
 W                 -2.26441300    3.28212000   -1.33429500
 W                 -1.99054900   -3.31935900    1.50224600
 W                 -2.00168200    0.31891900   -3.57340600
 W                 -2.00688500    2.92486800    2.08694300
 W                  1.72806300    0.29277600   -3.47538700
 W                  1.51151800    3.27945200   -1.30534000
 W                  4.73732600    0.78764400    1.91776700
 W                 -2.17104300   -2.82074300   -2.19626700
 W                  1.57660000   -2.86571900   -2.14299500
 W                  4.86391200   -1.98552800   -0.00241800
 W                  1.75200700   -3.25473200    1.56675400
 W                  1.64477700   -0.50358400    3.56748200
 W                  1.74539600    2.90523700    2.10270100
 Mo                -5.04922400    0.50283500    1.44700300
 Mo                -5.10137600   -1.50038500   -0.32570200
 Mo                -5.10094900    0.91173000   -1.18677600
 P                  1.83437700   -0.03416300    0.05138100
 P                 -1.97609900   -0.01900000    0.00100900
 O                  1.88346500   -2.34339000    3.23988900
 O                 -0.24778300   -0.63536600    3.62674800
 O                 -0.30555700    3.48610600   -1.20274200
 O                 -2.22008100   -2.42668900    3.17794200
 O                  5.56901200   -0.67625200   -1.29069800
 O                  1.85625600    3.91286200    0.48842000
 O                 -4.00878500    2.64095500   -1.11311300
 O                 -2.26699900   -1.59307100   -3.62743500
 O                  3.58165900    2.63918900   -1.06700500
 O                 -3.93952700   -2.28562800   -1.59987200
 O                 -2.45333800    4.05381700    3.28761700
 O                  3.65937600   -2.40059500   -1.63877100
 O                  5.52607200   -0.88642300    1.38071800
 O                  3.48617600   -0.08024700    2.96004500
 O                 -3.64731900   -0.02221800   -0.00643800
 O                  6.05030300   -3.20132700   -0.11963800
 O                  1.92599000   -1.63854200   -3.53810500
 O                  1.95116600    4.66623200   -2.19892800
 O                 -3.97863200   -2.66936600    1.21558700
 O                  5.46713800    1.51126800    0.24544500
 O                 -0.16187100   -3.36042600    1.70625800
 O                 -0.14450600    0.16910900   -3.68026600
 O                 -3.89771400   -0.37508800    2.80481400
 O                  3.57134300   -2.75899500    1.03607400
 O                 -2.56089900    4.71072200   -2.22175100
 O                 -6.34825600   -1.14382500    1.34059600
 O                 -4.00589600    2.33005600    1.65221300
 O                 -1.94497300    1.34127200    3.03549100
 O                 -2.50023900   -0.48229200    5.18447400
 O                 -2.32326600    3.92402500    0.51026800
 O                  3.54044900    2.30059300    1.82030300
 O                 -6.31971200   -0.68000400   -1.48921800
 O                 -0.19068700    3.17934200    2.02332900
 O                 -3.99960800    0.26838400   -2.90106400
 O                 -2.38696800   -4.92821600    1.90520700
 O                  2.14728100    0.72988900   -5.06790200
 O                  1.44799800    1.98708000   -2.61433000
 O                  3.56621900    0.49932800   -2.70691000
 O                 -2.35571600    0.76945400   -5.17741600
 O                 -0.25633300   -2.89835200   -2.40256100
 O                 -6.44136600    1.58776500    0.28615200
 O                  1.40846600    1.39575000    3.10010400
 O                 -1.95662500    1.99190000   -2.66643300
 O                  1.35845100    1.43848600    0.20021100
 O                  2.07245300    4.09935700    3.27806500
 O                 -1.92717000   -3.35381400   -0.37358800
 O                  1.37306700   -0.63726700   -1.30606900
 O                  5.90107700    1.32479500    3.04404800
 O                  1.48298300   -3.32793700   -0.35978800
 O                  1.96843800   -0.42716000    5.23963400
 O                  2.01701100   -4.33508100   -2.89214100
 O                 -1.62831400   -0.59001700   -1.37896300
 O                 -2.57690600   -4.28542500   -2.96903600
 O                  1.36798200   -0.90657700    1.24695300
 O                  2.11206900   -4.86092500    2.00568900
 O                 -1.62030300   -0.93050900    1.17743400
 O                  3.43458100   -0.04547800    0.07482400
 O                 -1.65035000    1.46635000    0.18895600
 O                 -6.40581700    2.00354800   -2.61824000
 H                 -6.38036500    1.59116800   -3.49637200
 H                 -6.03636900    2.89540300   -2.73023500
 O                 -6.24248700    1.13676600    3.20646400
 H                 -6.15524400    2.09117400    3.36302000
 H                 -5.83409500    0.70335700    3.97528900
 O                 -6.39310300   -3.30612500   -0.61975700
 H                 -6.22058100   -3.67255400   -1.50239300
 H                 -6.13115100   -3.99963200    0.00766200
 O                  6.00114900    1.81527500   -2.49386800
 H                 -4.19887000    2.82835200    0.83164300
 H                 -4.15347300   -2.17331800    2.03793000
 H                 -4.31440700   -0.63403400   -3.07929200
 H                 -6.51058300    2.54686800    0.40499200
 H                 -6.38725600   -1.78297500    2.06688000
 H                  3.98344000   -1.86353100   -2.38224600
 H                  3.82962200    2.91999000   -0.16490100
Basis=Mo.LANL2DZ,W.LANL2DZ,O.6-31G,H.6-31G,P.6-31G

Group = NoSym
RICD

&SEWARD

&RASSCF
  Spin = 3
  nActEl = 12
  Ras2 = 12
  Inactive = 392
  FileOrb=h2bridgetrip_cas_6_6.RasOrb
  Alter = 3;1 391 394;1 402 408;1 404 409
&GRID_IT
Select = 1:390-450

