################################################################################ # # OT Basis set FOR BENCHMARKING ONLY !!!!!!!!!!! # It is not likely that these basis sets give accurate results # (we would have been too lucky) # ################################################################################ H SZV-GTH-PADE 1 1 0 0 4 1 8.3744350009 -0.0238943732 1.8058681460 -0.1397943259 0.4852531032 -0.2530970874 0.1658235797 -0.6955307423 # O SZV-GTH-PADE 1 2 0 1 4 1 1 8.3044042305 0.1510163077 -0.0995678047 2.4579452461 -0.0393193874 -0.3011430914 0.7597363524 -0.6971729792 -0.4750852730 0.2136387585 -0.3841125601 -0.3798775565 H TZV2P-GTH-PADE 2 1 0 0 4 3 8.3744350009 -0.0238943732 0.0000000000 0.0 1.8058681460 -0.1397943259 0.0000000000 0.0 0.4852531032 -0.2530970874 0.0000000000 1.0 0.1658235797 -0.6955307423 1.0000000000 0.0 2 1 1 2 2 0.9500000000 0.0000000000 1.0 0.2700000000 1.0000000000 0.0 O TZV2P-GTH-PADE 2 2 0 1 4 3 3 8.3044042305 0.1510163077 0.0000000000 0.0 -0.0995678047 0.0000000000 0.0 2.4579452461 -0.0393193874 0.0000000000 0.0 -0.3011430914 0.0000000000 0.0 0.7597363524 -0.6971729792 0.0000000000 1.0 -0.4750852730 0.0000000000 1.0 0.2136387585 -0.3841125601 1.0000000000 0.0 -0.3798775565 1.0000000000 0.0 3 2 2 2 2 1.4000000000 1.0000000000 0.0 0.4000000000 0.0000000000 1.0