%nprocshared=4
%chk=C:\Users\pselab\Desktop\Rudolph's\kitech\pt\N2O4+H2O_FREQ.chk
# opt=(calcall,ts) freq b3lyp/6-31g(d,p) geom=connectivity
N2O4_H2O
0 1
N -1.41580277 -0.01054232 0.00649410
O -2.58838160 -0.29063686 -0.12757734
O -1.08997650 1.12655069 0.33640465
O -0.45075087 -0.96694614 -0.21109004
N 1.24974645 -0.69346582 0.20900053
O 2.11572895 -1.40983653 0.06555541
O 1.81297551 1.65679730 -0.21915857
H 0.87378193 1.42958707 -0.32439675
H 1.89184828 2.57104230 0.06286146
1 2 2.0 3 1.5 4 1.0
2
3
4
5 6 2.0
6
7 8 1.0 9 1.0
8
9
That is input, and that makes link 9999 error,
So, I searched that error in google, That says "add geom=allcheck"
But that makes another error.....
Since It's not Z-matrix, It can't run.....
So I use Z-matrix but, I got same error.......
How can I get that TS sucessful?
I ran the calculation just Freq job first, then calculate again using that output
but that makes this error
Structure from the checkpoint file: "C:\Users\pselab\Desktop\Rudolph's\kitech\pt\N2O4+H2O_FREQ.chk"
--------
N2O4_H2O
--------
Charge = 0 Multiplicity = 1
Redundant internal coordinates found in file.
N,0,-1.3086805746,0.0099071503,-0.0110841512
O,0,-2.4306003953,-0.4458274784,-0.0812003307
O,0,-1.0040747725,1.1466687311,0.3668640253
O,0,-0.3145336548,-0.8199751215,-0.4065958689
N,0,1.2071736456,-0.5403542062,0.4834185431
O,0,1.9585613898,-1.2626812946,0.0487093962
O,0,1.6213312193,1.5733063873,-0.4883079162
H,0,0.6590326293,1.6616911144,-0.3443241645
H,0,2.0109598933,2.0898144075,0.2306139168
Wanted an integer as input.
Found a string as input.
N2O4_H2O
?
Error termination via Lnk1e in C:\G09W\l101.exe at Mon Mar 20 11:26:21 2017.
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