9:37:44 AM PDT - Tue, Aug 27th 2019 |
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XYZ files typically have two lines at the beginning that you are missing. The first line is the number of atoms in the system, and the second line is a comment (which can be a blank line). Try the following for your .xyz file:
11
Note: this is an 11 atom system
O -1.3047367429773122 0.009089446574739575 -0.5289292349730885
O -0.7770787972320209 -0.9615741276788281 0.3464768396257761
C 0.49658107963611975 -1.090265457932781 0.311933644190542
H 0.8305056516171666 -1.8092862779504009 1.065061937015589
C 1.380625768729094 -0.31787267331840097 -0.455961166104786
H 2.426324957070375 -0.6086671035848019 -0.393862083010093
H 0.9988477378967555 -0.031815831105051984 -1.4407656901417443
H 1.0241478613528698 0.837463213023073 0.0747449743876046
O 0.10627474767979156 1.8072067017561981 0.2453287615510732
H -0.049202943033594064 2.1253851803711563 1.142081859348068
H -0.6889906049409167 1.099178113282198 -0.08006540798564055
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