TD Job on singlet excited states on benzophenoneCr(CO)3 Created by GaussView 3.09 31 31 0 0 0 0 0 0 0 0 0 0 1.7071 0.0188 0.1472 Cr 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 0.8831 1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 1.6855 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 0.1948 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 1.4030 2.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 2.7064 -1.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.2846 0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0534 -1.3202 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -0.7037 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -2.0732 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8497 -0.8089 -1.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1367 -2.1597 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9992 -1.5522 -1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8135 -1.1965 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 -2.5226 1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 -0.2891 -2.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 -2.6885 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -1.6121 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 0.1416 -1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 0.0438 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 1.2142 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 -1.1755 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 1.1698 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 2.1507 -0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4171 -1.2207 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -2.0959 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1319 -0.0480 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1828 2.0833 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -2.1715 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0853 -0.0829 1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 0.8998 -2.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 3 0 0 0 0 3 6 3 0 0 0 0 4 7 3 0 0 0 0 8 9 4 0 0 0 0 8 10 4 0 0 0 0 8 14 1 0 0 0 0 9 11 4 0 0 0 0 9 19 1 0 0 0 0 10 12 4 0 0 0 0 10 15 1 0 0 0 0 11 13 4 0 0 0 0 11 16 1 0 0 0 0 12 13 4 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 19 20 1 0 0 0 0 19 31 2 0 0 0 0 20 21 4 0 0 0 0 20 22 4 0 0 0 0 21 23 4 0 0 0 0 21 24 1 0 0 0 0 22 25 4 0 0 0 0 22 26 1 0 0 0 0 23 27 4 0 0 0 0 23 28 1 0 0 0 0 25 27 4 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0