diff --git a/Butadien/Butadien/output b/Butadien/Butadien/output
new file mode 100644
index 0000000..99bc0b5
--- /dev/null
+++ b/Butadien/Butadien/output
@@ -0,0 +1,73 @@
+Reading the GBW file orca_nmr.gbw              ... ... done.
+Reading the input file orca.nmrspec           ... ... done.
+--------------------------------------------------------------------------- 
+NMR Spectrum simulated based on computed shieldings and coupling constants  
+--------------------------------------------------------------------------- 
+
+ NMR Shielding File: orca_nmr.property.txt 
+ NMR Couplings File: orca_sscc.property.txt 
+ Simulated spectrometer frequency :      80.00 MHz 
+ Corresponding spectrometer fieldstrength :       1.88 Tesla 
+ User-defined shielding reference value for nuclei of type 1 :    31.110000 ppm 
+ User-defined shielding reference value for nuclei of type 6 :   179.730000 ppm 
+ Lines coalesce below   1.0000 Hz difference 
+ Printlevel : 0  NAtoms 10 
+
+Atom 0, diagonalizing spin Hamiltonian of size 2 ... ... done.
+Atom 1, diagonalizing spin Hamiltonian of size 2 ... ... done.
+Atom 2, diagonalizing spin Hamiltonian of size 2 ... ... done.
+Atom 3, diagonalizing spin Hamiltonian of size 2 ... ... done.
+Atom 4, diagonalizing spin Hamiltonian of size 32 ... ... done.
+Atom 5, diagonalizing spin Hamiltonian of size 32 ... ... done.
+Atom 6, diagonalizing spin Hamiltonian of size 32 ... ... done.
+Atom 7, diagonalizing spin Hamiltonian of size 32 ... ... done.
+Atom 8, diagonalizing spin Hamiltonian of size 32 ... ... done.
+Atom 9, diagonalizing spin Hamiltonian of size 32 ... ... done.
+
+----------------------------------------------------- 
+ NMR Peaks for atom type 1, ref value  31.1100 ppm : 
+----------------------------------------------------- 
+Atom   shift[ppm]   rel.intensity  
+   4        5.20   12.00 
+   4        5.18   16.00 
+   4        5.16   12.00 
+   4        5.11   16.00 
+   4        5.09   14.00 
+   4        5.06   14.00 
+   4        5.13    8.00 
+   4        5.03    4.00 
+   5        5.34    4.00 
+   5        5.32    6.00 
+   5        5.29    6.00 
+   5        5.27    2.00 
+   5        5.31    2.00 
+   5        5.26    2.00 
+   5        5.24    6.00 
+   5        5.14    4.00 
+   6        6.57    6.00 
+   6        6.54    2.00 
+   6        6.52    4.00 
+   6        6.50   10.00 
+   6        6.46    6.00 
+   6        6.43    6.00 
+   6        6.41    6.00 
+   6        6.39    8.00 
+   6        6.35    4.00 
+   6        6.33    4.00 
+   7        6.66    2.00 
+   7        6.60    2.00 
+   7        6.30    2.00 
+   7        6.24    2.00 
+
+----------------------------------------------------- 
+ NMR Peaks for atom type 6, ref value 179.7300 ppm : 
+----------------------------------------------------- 
+Atom   shift[ppm]   rel.intensity  
+   0      122.26    4.00 
+   1      145.21    4.00 
+
+----------------------------------------------------- 
+Total time                               ...      0.008 sec (=   0.000 min)
+Time in spin Hamiltonian diagonalization ...      0.002 sec (=   0.000 min)
+------------------------------------------------------------------------------
+