%mem=420mb #METHOD scf=tight IOPS REACTION 1 SADDLE POINT 0 2 H 0.000480 -1.340627 0.000000 Cl 0.000000 0.203252 0.000000 H -0.000480 -2.114659 0.000000 EXTBASIS --Link1-- %mem=420mb #METHOD scf=(qc,maxcycle=400,tight) IOPS REACTION 2 SADDLE POINT 0 2 O -.301064 -.108049 -.000008 H -.427945 .851569 .000016 H 1.015486 -.100367 .000119 H 1.820968 .113187 -.000073 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 3 SADDLE POINT 0 2 C .000000 .264813 .000000 H 1.053429 .516668 .000000 H -.526627 .517025 .912250 H -.526627 .517025 -.912250 H -.000260 -1.117771 .000000 H .000084 -2.021825 .000000 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 4 SADDLE POINT 0 2 C -1.211487 .007968 .000407 O 1.293965 -.108694 .000133 H .009476 -.118020 .002799 H -1.525529 -.233250 1.010070 H -1.430665 1.033233 -.278082 H -1.552710 -.710114 -.737702 H 1.416636 .849894 -.000591 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 5 SADDLE POINT 0 2 C -.484539 -.328221 .039269 O .815906 .120889 -.118803 H 1.078489 .607147 .663171 H -.707564 -.763187 1.012897 H -.754853 -.971321 -.790866 H -1.324909 .680081 -.053835 H -1.911181 1.449496 -.116562 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 6 SADDLE POINT 0 2 H 0.000000 0.000000 0.000000 H 0.000000 0.000000 0.929474 H 0.000000 0.000000 -0.929474 EXTBASIS --Link1-- %mem=420mb #METHOD scf=(qc,maxcycle=400,tight) IOPS REACTION 7 SADDLE POINT 0 2 N -1.150816 -.043932 -.102559 O 1.179186 -.092696 -.010290 H -1.303185 -.547638 .766571 H -1.338913 .935808 .091854 H -.030687 -.153834 -.353184 H 1.295009 .814753 .294991 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 8 SADDLE POINT 0 2 C .244117 .599916 1.702423 H -.675597 .278482 2.172939 H .351910 1.663786 1.537672 H 1.140686 .065787 1.987822 H .057163 .139973 .397112 Cl -.137580 -.338090 -.959416 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 9 SADDLE POINT 0 2 C 1.458334 -.446365 .025478 C .469423 .697422 -.027493 O -1.853037 -.314659 -.053055 H 1.301764 -1.061079 .910737 H 1.366585 -1.086189 -.851118 H 2.482245 -.066879 .057150 H .471069 1.325443 .861037 H .533524 1.303495 -.928560 H -.630232 .207816 -.078465 H -2.267207 .388321 .465751 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 10 SADDLE POINT 0 2 H .146568 -1.128390 .000000 F .000000 .330422 .000000 H -.146568 -1.845410 .000000 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 11 SADDLE POINT 0 3 C 0.000290 -1.142289 0.000000 H -1.055957 -1.384735 0.000000 H 0.520167 -1.407389 0.912447 H 0.520167 -1.407389 -0.912447 H 0.011560 0.160099 0.000000 O 0.000290 1.361643 0.000000 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 12 SADDLE POINT 0 2 P .217429 .000088 -.111249 H .246609 1.034668 .852164 H .262661 -1.025058 .861623 H -1.266418 -.010952 -.150626 H -2.504290 .000028 .105575 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 13 SADDLE POINT 0 2 H 0.000000 0.000000 1.485800 Cl 0.000000 0.000000 0.000000 H 0.000000 0.000000 -1.485800 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 14 SADDLE POINT 0 3 H .000000 .000000 -.860287 O .000000 .000000 .329024 H .000000 .000000 -1.771905 EXTBASIS --Link1-- %mem=420mb #METHOD scf=(tight,maxcycle=500,qc) IOPS REACTION 15 SADDLE POINT 0 2 H -1.477576 -.209398 .000454 N -.604481 .337143 -.000079 N .327017 -.459576 .000046 H 1.270678 .139685 -.000812 H 2.149144 .926742 .000587 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 16 SADDLE POINT 0 2 H 1.262097 -.220097 .000000 S .000000 .223153 .000000 H -.500576 -1.115445 .000000 H -.761521 -2.234913 .000000 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 17 SADDLE POINT 0 3 Cl .018820 -.817301 .000000 H -.470488 .569480 .000000 O .018820 1.665579 .000000 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 18 SADDLE POINT 0 3 C -1.199577 -.011126 -.000030 N 1.400715 .129862 .000015 H -1.426660 -.512932 .933057 H -1.419907 -.591382 -.888143 H -1.520237 1.022806 -.045783 H .188926 .126896 .001001 H 1.570338 -.887667 -.000053 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 19 SADDLE POINT 0 3 C -1.394984 -0.449661 0.000703 C -0.435746 0.714063 0.002027 N 1.927570 -0.378352 0.003036 H -1.200087 -1.120951 -0.835687 H -1.322095 -1.027884 0.921773 H -2.428713 -0.105352 -0.089334 H -0.417688 1.308482 -0.907201 H -0.441127 1.329095 0.897467 H 0.828501 0.180593 -0.028561 H 2.472592 0.498073 0.003910 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 20 SADDLE POINT 0 2 C -1.485700 -0.448156 -0.000019 C -0.505042 0.701740 0.000029 N 1.865161 -0.340167 -0.000057 H -1.354193 -1.076505 -0.880503 H -1.354159 -1.076611 0.880385 H -2.517025 -0.086173 0.000025 H -0.522224 1.316118 -0.897218 H -0.522205 1.316029 0.897338 H 0.665047 0.147961 -0.000034 H 2.246644 0.159717 -0.804806 H 2.246439 0.159133 0.805151 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 21 SADDLE POINT 0 2 C -1.260750 -0.000006 0.012291 N 1.313255 -0.000005 -0.136782 H -1.583987 0.908538 -0.484744 H -1.463672 -0.004573 1.077302 H -1.584748 -0.903880 -0.492700 H 0.043108 -0.000064 -0.151692 H 1.480459 0.805577 0.467751 H 1.480557 -0.805524 0.467808 EXTBASIS --Link1-- %mem=420mb #METHOD scf=tight IOPS REACTION 22 SADDLE POINT 0 1 C -1.299623 -0.904853 -0.020155 C -1.205947 0.505817 -0.013414 C 0.000000 1.183361 0.153301 C 1.205948 0.505814 -0.013422 C 1.299626 -0.904851 -0.020147 H 2.168797 -1.327549 -0.515697 H 1.032041 -1.454385 0.873166 H 2.037130 1.085583 -0.398504 H 0.000001 2.262913 0.085905 H -2.037133 1.085587 -0.398481 H -2.168796 -1.327540 -0.515716 H -0.000011 -1.181942 -0.520808 H -1.032059 -1.454394 0.873158 EXTBASIS