Principal data directory: pes-gr-090210/h2c2o1s-avtz-rccpt-fit/ reading pcf-x1.dat reading pcf-y1.dat reading pcf-z1.dat reading pcf-x2.dat reading pcf-x1y1.dat reading pcf-y2.dat reading pcf-x1z1.dat reading pcf-y1z1.dat reading pcf-x2y1.dat reading pcf-x1y2.dat reading pcf-x2z1.dat reading pcf-x1y1z1.dat reading pcf-y2z1.dat reading pcf-x2y2.dat reading pcf-x2y1z1.dat reading pcf-x1y2z1.dat reading pcf-x2y2z1.dat Principal data directory: pes-gr-090210/h2c2o1t-avtz-rccpt-fit/ reading pcf-x1.dat reading pcf-y1.dat reading pcf-z1.dat reading pcf-x2.dat reading pcf-x1y1.dat reading pcf-y2.dat reading pcf-x1z1.dat reading pcf-y1z1.dat reading pcf-x2y1.dat reading pcf-x1y2.dat reading pcf-x2z1.dat reading pcf-x1y1z1.dat reading pcf-y2z1.dat reading pcf-x2y2.dat reading pcf-x2y1z1.dat reading pcf-x1y2z1.dat reading pcf-x2y2z1.dat 0 -152.582394 -152.369740 -152.227127 1 -152.523321 -152.315553 -152.108993 2 -152.480929 -152.265252 -152.061739 3 -152.477303 -152.273495 -152.168714 4 -152.455733 -152.242864 -152.200626 5 -152.450655 -152.240670 -152.150647 6 -152.450351 -152.244510 -152.132975 7 -152.448503 -152.237437 -152.229967 8 -152.444000 -152.237089 -152.157668 9 -152.443721 -152.239586 -152.119147 10 -152.426950 -152.205227 -152.088768 11 -152.418547 -152.198231 -152.134737 12 -152.398543 -152.192663 -152.130607 13 -152.392274 -152.183519 -152.133142 14 -152.388561 -152.170841 -152.065416 15 -152.354451 -152.152650 -152.021145 16 -152.349869 -152.144608 -152.016583 17 -152.344761 -152.130476 -152.125622 18 -152.342576 -152.140971 -152.087652 19 -152.335896 -152.125139 -152.032496