Ec/mos/furan.locfci.mol
2021-06-21 14:08:00 +02:00

9166 lines
257 KiB
Plaintext

[Molden Format]
[Atoms] Angs
C 1 6 0.0000000000 1.0920409991 -0.3177775530
C 2 6 0.0000000000 -1.0920409991 -0.3177775530
C 3 6 0.0000000000 0.7162338819 0.9860499214
C 4 6 0.0000000000 -0.7162338819 0.9860499214
O 5 8 0.0000000000 0.0000000000 -1.1321500220
H 6 1 0.0000000000 2.0444090281 -0.8136930789
H 7 1 0.0000000000 -2.0444090281 -0.8136930789
H 8 1 0.0000000000 1.3714622693 1.8371343431
H 9 1 0.0000000000 -1.3714622693 1.8371343431
[GTO]
1 0
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[MO]
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