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kilian 2026-07-15 11:01:50 +02:00
parent 285ef6b48f
commit 6342eff12d
1 changed files with 16 additions and 0 deletions
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Vanilla/Benzaldehyd/orca.xyz Normal file
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O 2.827276 1.307298 -0.483303
C 2.319864 0.157938 -0.387410
C 0.869431 0.023247 -0.144833
C 0.258481 -1.205759 -0.030928
C -1.101226 -1.254887 0.195704
C -1.881243 -0.121201 0.314094
C -1.273014 1.110286 0.200617
C 0.088421 1.155053 -0.026260
H 2.885283 -0.759377 -0.472271
H 0.835869 -2.104299 -0.117969
H -1.537718 -2.258192 0.278332
H -2.966149 -0.196315 0.495283
H -1.872302 2.015179 0.291238
H 0.547029 2.131028 -0.112296