[molpro-user] Mallika Khare (Requesting for help in removing Molpro rhfpro error)

[Mallika Khare]

Hello

I am Mallika Khare, grad student in Michigan Tech.

I am writing to humbly ask that I am trying to run a Molpro frequency
calculation with following input:
***,Phenolortho
memory,50,m

geomtyp=z-matrix
symmetry,nosym
   B1=1.54000000
   B2=1.35520000
   B3=1.35520000
   B4=1.54000000
   B5=1.35520000
   B6=1.07000000
   B7=1.07000000
   B8=1.07000000
   B9=1.07000000
   B10=1.07000000
   B11=1.97020304
   B12=1.43000000
   A1=120.00000000
   A2=120.00000000
   A3=120.00000000
   A4=120.00000000
   A5=120.00000000
   A6=120.00000000
   A7=120.00000000
   A8=120.00000000
   A9=120.00000000
   A10=147.34791954
   A11=120.00000000
   D1=0.00000000
   D2=0.00000000
   D3=0.00000000
   D4=180.00000000
   D5=180.00000000
   D6=180.00000000
   D7=180.00000000
   D8=180.00000000
   D9=180.00000000
   D10=180.00000000

GEOMETRY

C
 C,1,B1
 C,1,B2,2,A1
 C,2,B3,1,A2,3,D1,0
 C,3,B4,1,A3,2,D2,0
 C,5,B5,3,A4,1,D3,0
 H,2,B6,1,A5,3,D4,0
 H,4,B7,2,A6,1,D5,0
 H,6,B8,5,A7,3,D6,0
 H,5,B9,3,A8,1,D7,0
 H,3,B10,1,A9,2,D8,0
 H,1,B11,2,A10,4,D9,0
 O,1,B12,2,A11,4,D10,0

ENDG

basis=6-31+g(d,p);
{rhf;
wf,charge=0,symmetry=3,spin=0;}
$functional=b3lyp3;
{freq,sym=nosym
print}
---

But, I m getting an error which says :
 ? Error
 ? No convergence
 ? The problem occurs in rhfpro

I would be very thankful, if you can help me to remove this error.
I am new to this suite and I really need help in this case, since I am
directionless.

Waiting for your response!

Many Thanks and Regards

Mallika Khare
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