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5Â¥: Originally posted by 2007280038037 at 2012-10-08 09:55:08
Warning, sas solver return  1.9308  2.4566
Warning, sas solver return  1.9179  2.4566
Warning, sas solver return  2.7635  3.7795
Error: maxnps csasg     3552        0        0     3551
Message: D ...

Integration points, checksum  0     24126     96051     113.000686
cubic simple grid used for COSMO
find_acc  sas_alf=   50.00
Message: DMol3 job failed
Error: DMol3 exiting
Error: maxnps csasg      829        0        0      828
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