11
PM3 Optimised Structure of trans W(CO)4Cl2, triplet state HFO = -348.823 kcal/mol
    C      2.1019965     0.1327950    -0.0464415
    W      0.0074200     0.1281641     0.1010199
    C     -2.0872742     0.1425376     0.2468381
    Cl     0.0001054    -2.1348992     0.0696973
    Cl    -0.0490311     2.2086187    -0.7694124
    C     -0.1416349    -0.2004545    -2.0167162
    C      0.1478389    -0.4979503     2.1284159
    O      3.2679978     0.1367335    -0.1187421
    O      0.2247367    -0.8298926     3.2387856
    O     -3.2519339     0.1512948     0.3378312
    O     -0.2211631    -0.4830031    -3.1394869
