Gau-21907.EIn

         4         1         0         1
         7      0.000000000000      0.000000000000     -0.114091591161      0.000000000000 
         1     -1.817280998039      0.000000000000      0.528409372569      0.000000000000 
         1      0.908640499019     -1.573811509290      0.528409372569      0.000000000000 
         1      0.908640499019      1.573811509290      0.528409372569      0.000000000000 
 1 2 1.000 3 1.000 4 1.000
 2 1 1.000
 3 1 1.000
 4 1 1.000
 

Gau-21907.EOu

 -0.443018501820D+01  0.425846184557D-05  0.277555756156D-16  0.684082661198D+00
  0.118392457090D-04 -0.407660016855D-16  0.155168987691D-02
 -0.956886131342D-02  0.213587827980D-16 -0.514015261628D-03
  0.477851103385D-02 -0.827251613616D-02 -0.518837307640D-03
  0.477851103385D-02  0.827251613616D-02 -0.518837307640D-03
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00
  0.000000000000D+00  0.000000000000D+00  0.000000000000D+00

test.com

#p opt external="/home/pbeaujea/g2xtb_interface/interface.py -s h2o" nosymmetry

Title

0 1
7        0.000000000      0.000000000     -0.060374670
1       -0.961663690      0.000000000      0.279622198
1        0.480831845     -0.832825185      0.279622198
1        0.480831845      0.832825185      0.279622198