%nprocshared=40 %mem=180GB %oldchk=Ph3P_N2CHCO2Me_ts %chk=Ph3P_N2CHCO2Me_ts_svpd #p mn15/genecp opt(ts,rcfc,noeigentest) freq=noraman nosymm gfprint gfinput integral(grid=superfine) guess=read geom=checkpoint Ph3P + N=N=CH(CO2Me) TS 0 1 H 0 S 3 1.00 13.0107010 0.19682158D-01 1.9622572 0.13796524 0.44453796 0.47831935 S 1 1.00 0.12194962 1.0000000 P 1 1.00 0.8000000 1.0000000 P 1 1.00 0.11704099050 1.0000000 **** C 0 S 5 1.00 1238.4016938 0.54568832082D-02 186.29004992 0.40638409211D-01 42.251176346 0.18025593888 11.676557932 0.46315121755 3.5930506482 0.44087173314 S 1 1.00 0.40245147363 1.0000000 S 1 1.00 0.13090182668 1.0000000 S 1 1.00 0.67053540256D-01 1.0000000 P 3 1.00 9.4680970621 0.38387871728D-01 2.0103545142 0.21117025112 0.54771004707 0.51328172114 P 1 1.00 0.15268613795 1.0000000 D 1 1.00 0.8000000 1.0000000 D 1 1.00 0.11713185140 1.0000000 **** N 0 S 5 1.00 1712.8415853 -0.53934125305D-02 257.64812677 -0.40221581118D-01 58.458245853 -0.17931144990 16.198367905 -0.46376317823 5.0052600809 -0.44171422662 S 1 1.00 0.58731856571 1.0000000 S 1 1.00 0.18764592253 1.0000000 S 1 1.00 0.96171241529D-01 1.0000000 P 3 1.00 13.571470233 -0.40072398852D-01 2.9257372874 -0.21807045028 0.79927750754 -0.51294466049 P 1 1.00 0.21954348034 1.0000000 D 1 1.00 1.0000000 1.0000000 D 1 1.00 0.16697708112 1.0000000 **** O 0 S 5 1.00 2266.1767785 -0.53431809926D-02 340.87010191 -0.39890039230D-01 77.363135167 -0.17853911985 21.479644940 -0.46427684959 6.6589433124 -0.44309745172 S 1 1.00 0.80975975668 1.0000000 S 1 1.00 0.25530772234 1.0000000 S 1 1.00 0.76572453250D-01 1.0000000 P 3 1.00 17.721504317 0.43394573193D-01 3.8635505440 0.23094120765 1.0480920883 0.51375311064 P 1 1.00 0.27641544411 1.0000000 P 1 1.00 0.69002276350D-01 1.0000000 D 1 1.00 1.2000000 1.0000000 D 1 1.00 0.17992024323 1.0000000 **** P 0 S 5 1.00 8002.4795106 0.57503489302D-02 1203.6813590 0.43007628959D-01 273.44227031 0.19363986252 76.655541517 0.49651693399 23.516927435 0.44983262479 S 3 1.00 39.791683439 0.95188129789D-01 4.2770343323 -0.57649840368 1.6940256888 -0.54239583865 S 1 1.00 0.27567674644 1.0000000 S 1 1.00 0.10495590099 1.0000000 S 1 1.00 0.64309734755D-01 1.0000000 P 5 1.00 219.50755823 0.92100565257D-02 51.274155030 0.65409765745D-01 15.921595892 0.24033730279 5.5069913481 0.46318321788 1.9537719426 0.37392563382 P 1 1.00 0.47803397932 1.0000000 P 1 1.00 0.13657952621 1.0000000 D 1 1.00 0.4500000 1.0000000 D 1 1.00 0.99587311089D-01 1.0000000 ****