STO-3G calc of ch3cl E = 0.0000 010000.000 auto 00 0 STO-3G calc of ch3cl 17 0.000000 0.000000 0.658136 6 0.000000 0.000000 -1.121864 1 0.000000 1.027479 -1.485713 1 0.889823 -0.513740 -1.485713 1 -0.889823 -0.513740 -1.485713 99 0.1000 0.1000 0.1000 0.9000 02