Error message: [file orca_main/run.cpp, line 8992]: Cannot open input file: Top.in
Input file:
avogadro generated ORCA input file
Basic Mode
! BP RI OPT def2-TZVPP def2-TZVPP/J
- xyz 0 1
C -6.34551 -0.39040 -2.82160
O -5.53750 -0.24967 -1.67962
C -4.23461 0.03667 -2.02175
C -3.91926 1.29729 -2.56785
H -4.72563 2.01383 -2.70644
C -2.60563 1.60261 -2.96706
O -2.21652 2.78306 -3.56644
C -3.22971 3.69862 -3.87948
C -1.59735 0.64197 -2.76592
C -1.90915 -0.58874 -2.16792
H -1.12211 -1.32739 -2.01978
C -3.22250 -0.90262 -1.79069
O -3.41863 -2.19008 -1.34652
C -4.24962 -2.31001 -0.22612
C -0.24983 0.83444 -3.22021
C 0.87021 0.87576 -3.65220
C 2.19049 0.90013 -4.23908
O 2.53469 1.89374 -4.86332
C 3.13846 -0.22513 -4.02100
C 4.49348 0.15224 -3.96049
H 4.77595 1.20216 -4.05333
C 5.49787 -0.79863 -3.79371
H 6.53774 -0.47788 -3.75676
C 5.16870 -2.14822 -3.68678
Cl 6.47696 -3.26348 -3.49597
C 3.82559 -2.55283 -3.75056
Cl 3.43716 -4.24674 -3.62485
C 2.80317 -1.58978 -3.92662
Cl 1.16135 -2.13319 -4.10452
H -7.34897 -0.61188 -2.52342
H -5.96960 -1.18746 -3.42848
H -6.33288 0.52103 -3.38199
H -2.79885 4.56504 -4.33618
H -3.74123 3.98444 -2.98419
H -3.92286 3.24562 -4.55715
H -4.34044 -3.34195 0.04176
H -5.21704 -1.91462 -0.45561
H -3.82646 -1.76512 0.59176
H -0.18743 1.78014 -2.81184
H 1.23538 1.21636 -2.74906