Merge pull request #175 from berquist/1207-turbomole-xyz

shivupa · web-flow · commit e2554607fcfe · 2023-08-06T22:55:53.000-04:00
diff --git a/io/xyz/1207.xyz b/io/xyz/1207.xyz
@@ -0,0 +1,7 @@
+ 5
+Turbomole
+ H       0.2799185960    -1.0182681063    -0.2530805340 
+ C       0.0000000000    -0.0000000000     0.0000000000 
+ H      -0.4116644884     0.0231845648     1.0046237795 
+ H       0.8770033065     0.6387196672    -0.0466529780 
+ H      -0.7452574142     0.3563638742    -0.7048902674 
diff --git a/regressionfiles.txt b/regressionfiles.txt
@@ -291,6 +291,7 @@ Gaussian/Gaussian98/oo-LAN.out
 Gaussian/Gaussian98/test_Cu2.log
 Gaussian/Gaussian98/test_H2.log
 Gaussian/Gaussian98/water_zmatrix_nosym.log
+io/xyz/1207.xyz
 Jaguar/Jaguar4.2/dvb_gopt_b.out
 Jaguar/Jaguar4.2/dvb_gopt.out
 Jaguar/Jaguar4.2/dvb_ir.out
