witam! zaczynam nauke programu GAUSSIAN
ponizej mam zadanie, ktore musze zmienic- atomy Galu zamienic na at.skandu. nie wiem tylko, skad wziac wartosci wspolrzednych x,y,z kartezjanskich dla Sc....!

%chk=opt.chk
#PBEPBE/6-31G* 6D 10F guess=(read,only) nosymm punch=all

(H2Ga)3-(NH)2--(GaH)3-(NH2)3

0 1
N -1.282699 1.238522 0.750145
N 1.703666 0.489257 0.774577
N -0.439270 -1.721070 0.763495
N 1.298179 -1.247984 -1.803540
N 0.449585 1.727268 -1.818451
N -1.700917 -0.493250 -1.829787
Ga -1.413170 1.376154 -1.165320
Ga 0.465792 1.903996 1.432034
Ga -1.898491 -0.533936 1.417382
Ga 1.915108 0.539774 -1.137882
Ga -0.471872 -1.924660 -1.150690
Ga 1.395184 -1.359345 1.448068
H 1.368417 -1.311136 -2.828453
H 0.683348 2.667303 -1.456972
H -1.776755 -0.519306 -2.855910
H -2.435839 2.371590 -1.802002
H 0.476919 1.997422 3.001637
H 0.805243 3.234207 0.589878
H -2.004436 -0.556914 2.985938
H -3.210110 -0.910404 0.561864
H 3.297329 0.929921 -1.753477
H -0.816117 -3.314920 -1.775519
H 1.448864 -1.418744 3.018362
H 2.386725 -2.319255 0.617599
H 0.477965 1.807891 -2.844135
H -2.634476 -0.757792 -1.472591
H 1.990739 -1.920255 -1.432866
H -0.675307 -2.649485 1.147973
H -1.973457 1.906442 1.127206
H 2.622072 0.752763 1.165041