From 14a1e6dd7583ec6c13c78f61e0d0099f73d3a50a Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Tue, 16 Apr 2019 10:09:32 +0200 Subject: [PATCH] added data_HF_5z+ec_v5z --- Big_data/Large_core/v5z/data_HF_5z+ec_v5z | 68 +++++++++++++++++++++++ 1 file changed, 68 insertions(+) create mode 100644 Big_data/Large_core/v5z/data_HF_5z+ec_v5z diff --git a/Big_data/Large_core/v5z/data_HF_5z+ec_v5z b/Big_data/Large_core/v5z/data_HF_5z+ec_v5z new file mode 100644 index 0000000..a54a954 --- /dev/null +++ b/Big_data/Large_core/v5z/data_HF_5z+ec_v5z @@ -0,0 +1,68 @@ +Be -14.619076394 +BeH -15.19865211 +C -37.788139553 +C2H2 -77.215687228 +C2H4 -78.468441934 +C2H6 -79.705755121 +CH -38.421203545 +CH2_1A1 -39.074863007 +CH2_3B1 -39.089996283 +CH3 -39.775742563 +CH3Cl -499.61476162 +CH4 -40.454500878 +CN -92.599097277 +CO -113.19818728 +CO2 -188.40308802 +CS -435.72924644 +Cl -459.69987351 +Cl2 -919.49226732 +ClF -559.45802101 +ClO -534.79983994 +F -99.66056543 +F2 -199.38067475 +H -0.499994535159 +H2CO -114.38012741 +H2O -76.369004983 +H2O2 -151.42495641 +H2S -398.96215392 +H3COH -115.60107851 +H3CSH -438.21142959 +HCN -93.309295885 +HCO -113.72870511 +HCl -460.37011095 +HF -100.38516639 +HOCl -535.46148098 +Li -7.43272230705 +Li2 -14.903799758 +LiF -107.3121355 +LiH -8.0243610596 +Mg -199.64859005 +N -54.527791813 +N2 -109.41419115 +N2H4 -111.74783323 +NH -55.158830899 +NH2 -55.816200805 +NH3 -56.499355856 +NO -129.76693035 +Na -161.858638846 +Na2 -323.74342476 +NaCl -621.71541387 +O -74.999993617 +O2 -150.18868819 +OH -75.669540217 +P -340.82999252 +P2 -681.84107137 +PH2 -342.07402057 +PH3 -342.71316297 +S -397.67123347 +S2 -795.50405018 +SO -472.86821801 +SO2 -548.07700413 +Si -288.93887653 +Si2 -577.99696723 +Si2H6 -581.72839189 +SiH2_1A1 -290.18294101 +SiH2_3B1 -290.15048271 +SiH3 -290.80125346 +SiH4 -291.45487809 +SiO -364.24145312