[molpro-user] CCSD calcuation

[behnam nikoobakht]

Dear molpro users,

I want to perform CCSD calcuation for fenchone molecule using relatively large basis setscc-pVTZ for C and H  atoms and t-aug-cc-pVTZ for O atom.   I have used the largest meomerywhich is avaiavle in our cluster. But, this calcuation still needs more memory. Now, my question is 
that is there any way to overcome this problem using for e.g an appromxiation method which allows 
to run this calcuation without problem?
Thank you very much in advance for your help

This is my input:
***,fenchone CCSD!
{memory,100000,m}
gprint,basis
gexpec,dm,sm,qm
!
basis={C=cc-pVTZ;H=cc-pVTZ;O=t-aug-cc-pVTZ}
geomtyp=xyz
geometry={
27
geometry input
 O , 2.52970, 0.38020, 1.47680
 C ,-0.00430,-1.22180, 2.23870
 C , 0.08010, 0.13640, 1.50670
 C ,-0.17180, 1.24990, 2.53740
 C , 1.48290, 0.29150, 0.86900
 C , 2.56330, 0.02430,-1.44260
 C , 1.30210, 0.32480,-0.65290
 C ,-0.81640, 1.56820,-0.41490
 C , 0.64650, 1.72070,-0.93530
 C ,-0.81180, 0.15900, 0.22540
 C , 0.06770,-0.60030,-0.79900
 H ,-0.97930,-1.32250, 2.73060
 H , 0.12180,-2.07670, 1.56710
 H , 0.77570,-1.28140, 3.00480
 H ,-1.18590, 1.17540, 2.94880
 H , 0.54140, 1.15220, 3.36210
 H ,-0.04800, 2.25300, 2.11900
 H , 2.92940,-0.98710,-1.23330
 H , 2.38290, 0.10720,-2.52080
 H , 3.36260, 0.72190,-1.17070
 H ,-1.11110, 2.36140, 0.27670
 H ,-1.52850, 1.59220,-1.24710
 H , 0.67390, 1.91530,-2.01370
 H , 1.19500, 2.53440,-0.44830
 H ,-1.81180,-0.25320, 0.39360
 H ,-0.35010,-0.58040,-1.81250
 H , 0.27670,-1.64230,-0.53650
}
hf
ccsd
save,files
eom,-10.1
show,energy
set,state= [' 1.1',' 2.1',' 3.1',' 4.1',' 5.1',' 6.1',' 7.1',' 8.1',' 9.1',' 10.1']

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