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The Chemcraft website says that it is possible to create a potential energy surface. Nevertheless, it doesn't work for my Gaussian scan job.

%chk=propylcyclohexan_scan_30.chk
#p GFINPUT POP(FULL) PM6 Opt=modredundant

 propylcyclohexan_scan_30

0 1
C         -2.32729        0.36923       -0.26826
C         -1.86086        1.79592        0.04793
C         -1.42371       -0.68619        0.35867
H         -2.35296        0.22494       -1.35567
H         -3.35311        0.22391        0.09146
C         -0.38557        2.05033       -0.34666
H         -1.99132        1.97106        1.12477
H         -2.51564        2.50378       -0.47169
C          0.03534       -0.45199       -0.00958
H         -1.73512       -1.68573        0.02974
H         -1.53451       -0.66689        1.44998
C          0.49676        0.97326        0.33008
H          0.17109       -0.63513       -1.08350
H          0.66387       -1.18248        0.51357
H          0.48096        1.10355        1.41947
H          1.53881        1.06369        0.01138
C          0.03241        3.54672       -0.05839
H         -0.30194        1.90196       -1.43267
C          1.54273        3.82216       -0.15556
H         -0.26571        3.76488        0.97694
H         -0.55219        4.21744       -0.69950
C          2.23970        5.10589       -0.65389
H          2.00099        3.01727       -0.72714
H          1.90136        3.75452        0.88334
H          2.45381        5.07336       -1.75369
H          3.23327        4.96387       -0.25958
H          2.02974        6.11114       -0.31960

D 6 17 19 22 S 11 30.0
D 12 6 17 19 S 11 30.0

It is possible to open the output file from this job and see the scan steps, but the "view scan graph" button does not work. Does Chemcraft need information that I forgot to calculate?

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  • $\begingroup$ FYI there is Matter Modeling [Beta].SE that is specifically suited for questions about algorithms and software used in computational chemistry. Your question is perfectly on-topic for Chemistry.SE either, just keep in mind there is a dedicated SE site for problems like this. $\endgroup$ – andselisk Dec 9 '20 at 9:36

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