CH2FCH2OH | Cartesian Coordinates | |||
Center Number | Atomic Number | X | Y | Z |
1 2 3 4 5 6 7 8 9 | 6 9 1 1 6 1 1 8 1 | 0.000003116 0.000014524 −0.000005137 0.000001564 −0.000021746 −0.000002396 0.000005782 0.000005060 −0.000000767 | −0.000001518 −0.000002341 −0.000003977 0.000000767 0.000030833 0.000010185 −0.000006013 −0.000028332 0.000000396 | 0.000020526 −0.000029060 0.000002345 0.000016765 0.000003239 0.000006184 −0.000000243 −0.000029361 0.000009605 |
CH3CHFOH | Cartesian Coordinates | |||
Center Number | Atomic Number | X | Y | Z |
1 2 3 4 5 6 7 8 9 | 6 6 1 1 1 9 1 8 1 | 0.000021353 −0.000117652 −0.000017542 0.000002761 −0.000013646 0.000109835 0.000018820 0.000000477 −0.000004406 | 0.000006161 0.000027420 −0.000011156 −0.000007600 −0.000002428 0.000008063 −0.000022248 0.000011019 −0.000009231 | −0.000053662 0.000072872 −0.000000420 0.000015768 0.000033080 −0.000042913 0.000004569 −0.000059799 0.000030505 |
C•HFCH2OH | Cartesian Coordinates | |||
Center Number | Atomic Number | X | Y | Z |
1 2 3 4 5 6 7 8 | 6 9 1 6 1 1 8 1 | −0.000020602 0.000008151 −0.000000850 0.000027899 −0.000003824 0.000008293 −0.000008585 −0.000010483 | 0.000003182 0.000053880 −0.000011335 −0.000023254 −0.000056264 0.000001847 −0.000003122 0.000035066 | −0.000077408 0.000000565 0.000020759 0.000011757 −0.000008549 −0.000024269 0.000024031 0.000053114 |
CH2FCH•OH | Cartesian Coordinates | |||
Center Number | Atomic Number | X | Y | Z |
1 2 3 4 5 6 7 8 | 6 9 1 1 6 1 8 1 | 0.000001249 0.000007760 −0.000003551 −0.000005664 −0.000037395 0.000001277 0.000037801 −0.000001476 | −0.000000923 0.000016425 0.000003238 0.000000417 0.000046885 −0.000023053 −0.000035478 −0.000007512 | −0.000001559 −0.000015375 −0.000020167 −0.000013020 0.000022542 0.000004842 −0.000015526 0.000038263 |