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------------------- 1/5=1,18=20,27=202,3
                        '
Last state="GCL"
TCursr= 1018 LCursr=   47
Error termination via Lnk1e in C:\G03W\l1.exe

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erylingjet:ÕâºÃÏñ²»ÊÇÊäÈëÎļþ 2010-05-24 20:52:01
ÊäÈëÎļþÈçÏ£º%chk=H3CO OPT.chk
%mem=6MW
%nproc=1
Will use up to    1 processors via shared memory.
Default route:  MaxDisk=2000MB
----------------------------------------------------------------------
# opt=qst2 freq uhf/6-31g(d) ----------------------- 1/5=1,18=20,27=20
2,38=1/1,3; 2/9=110,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=
1/1,2,3; 4/7=2/1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7//1,2,3,16
; 1/5=1,18=20,27=202/3(1); 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,
25=1,30=1/1,2,3; 4/5=5,7=2,16=3/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,18
=20,27=202/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,19=2,28=1/1; 99/9=1/99
; ---------------- H3CO - H2COH OPT ---------------- Symbolic Z-matrix
: Charge = 0 Multiplicity = 2 C H 1 B1 H 1 B2 2 A1 H 1 B3 3 A2 2 D1 0
O 1 B4 4 A3 3 D2 0 Variables: B1 1.07 B2 1.07 B3 1.07 B4 1.48 A1 109.4
712 A2 109.47122 A3 109.47122 D1 -120. D2 120.00003
3Â¥2010-05-24 19:46:07
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heyo_123(½ð±Ò+1):¹ÄÀø½»Á÷£¡£¡ 2010-05-25 16:03:49
ÒýÓûØÌû:
Originally posted by hedan1215 at 2010-05-24 19:46:07:
ÊäÈëÎļþÈçÏ£º%chk=H3CO OPT.chk
%mem=6MW
%nproc=1
Will use up to    1 processors via shared memory.
Default route:  MaxDisk=2000MB
-------------------------------------------------------- ...

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