* 1 (densidade do liquido de acetonitrile cerca de 0.777g/cm^3) 6 (acetonitrile madden model Mol. Phys. 1983, 49, 347.) 1 6 -1.364478 -1.245037 -0.813752 0.488 0.0998 3.40 2 7 -0.445246 -0.926603 -0.163741 -0.514 0.0998 3.30 3 6 -2.511552 -1.642399 -1.624877 -0.577 0.0998 3.00 4 1 -2.403100 -1.250547 -2.632974 0.201 0.0200 2.20 4 1 -2.573568 -2.726742 -1.668730 0.201 0.0200 2.20 4 1 -3.425855 -1.250548 -1.186617 0.201 0.0200 2.20 $end