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1scf PM3 PRECISE GREENF VECT
TEST FOR MOPAC 7.0 FOR J.J.P.STEWART
dimethoxy-s-tetrazine method OVGF(PM3)
C
N 1.37642 1 1
N 1.28602 1 118.36407 1 2 1
C 1.37955 1 118.51027 1 0.00317 1 3 2 1
N 1.37625 1 123.12897 1 -0.00211 1 4 3 2
N 1.28617 1 118.35611 1 -0.00012 1 5 4 3
O 1.35392 1 112.34420 1 179.99563 1 1 2 3
O 1.35390 1 124.53025 1 180.00024 1 4 3 2
C 1.41426 1 117.59432 1 179.99799 1 7 1 2
H 1.09535 1 112.24034 1 62.17779 1 9 7 1
H 1.09534 1 112.23293 1 -62.21587 1 9 7 1
H 1.09377 1 101.50305 1 179.98192 1 9 7 1
C 1.41425 1 117.59651 1 -0.00905 1 8 4 3
H 1.09535 1 112.23477 1 62.20685 1 13 8 4
H 1.09535 1 112.23416 1 -62.19005 1 13 8 4
H 1.09378 1 101.50562 1 180.01014 1 13 8 4
0 0 0
20 19 20 27 0.0001 0 0 0 0 1
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