Accuracy
rep739sys023g05pt100ab
471 rep739sys023g05pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys023g05pt100ab
H=2.316+rep739sys023g05pt100a+rep739sys023g05pt100b HR=NCIA HWT=10
C -1.39018488 +0 0.00000000 +0 -1.40000000 +0
F 0.00000000 +1 0.00000000 +0 -1.40000000 +0
H -1.73996569 +0 1.03111366 +1 -1.40000000 +0
H -1.74059223 +0 -0.51575960 +0 -2.29279994 +0
H -1.74029443 +0 -0.51513681 +0 -0.50638354 +0
C 0.00000000 +0 0.00000000 +0 1.38690000 +0
C 0.69619540 +0 -1.20519997 +0 1.38690000 +0
C 2.08693380 +0 -1.20435889 +0 1.38690000 +0
C 2.78135177 +0 0.00035538 +0 1.38642671 +0
C 2.08601120 +0 1.20454401 +0 1.38692315 +0
C 0.69465043 +0 1.20436813 +0 1.38733564 +0
H -1.08185511 +0 -0.00065678 +0 1.38718690 +0
H 0.15487969 +0 -2.14144419 +0 1.38664367 +0
H 2.62734817 +0 -2.14127312 +0 1.38588349 +0
H 3.86320688 +0 0.00101216 +0 1.38613982 +0
H 2.62647208 +0 2.14179956 +0 1.38668305 +0
H 0.15250879 +0 2.14030533 +0 1.38732165 +0