title = " # PB 1B cis=(Root=2)/D95V Freq"
 
matoms = 20
 
nmodes = 54
 
qatoms = {{0., 0., 0.99205}, {0., 0., -0.398418}, {-0.380434, 1.063625, 
      1.818036}, {0.380434, -1.063625, 1.818036}, {0., 1.241707, -1.105841}, 
     {0., -1.241707, -1.105841}, {-0.004676, 1.234841, -2.526847}, 
     {0.004676, -1.234841, -2.526847}, {0., 0., -3.225925}, 
     {0., 0., -4.298025}, {0.076915, 2.166876, -0.576457}, 
     {-0.076915, -2.166876, -0.576457}, {0.013856, 2.159523, -3.065904}, 
     {-0.013856, -2.159523, -3.065904}, {-0.74746, 1.976479, 1.414809}, 
     {0.74746, -1.976479, 1.414809}, {-0.246191, 0.679218, 3.115764}, 
     {0.246191, -0.679218, 3.115764}, {-0.474065, 1.275062, 3.970741}, 
     {0.474065, -1.275062, 3.970741}}
 
atnumb = {7, 6, 6, 6, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 6, 6, 1, 1}
 
freqs = {70.3597, 103.9178, 188.2168, 252.119, 274.822, 378.1683, 421.5848, 
     491.6162, 582.0219, 610.4496, 662.7082, 676.6055, 684.0184, 718.6124, 
     732.6732, 839.8102, 848.8089, 858.5518, 859.1541, 955.6477, 976.7988, 
     990.1638, 1025.6505, 1046.4612, 1053.3569, 1076.9186, 1101.1674, 
     1128.4965, 1139.3853, 1211.607, 1243.9036, 1305.5844, 1317.2617, 
     1375.0335, 1438.3389, 1477.828, 1489.4415, 1552.1089, 1569.0872, 
     1610.8015, 1639.1636, 1723.7094, 1732.9254, 1800.4877, 2964.2812, 
     3401.3915, 3429.4801, 3436.5372, 3451.9734, 3461.5708, 3476.2154, 
     3505.2066, 3520.4027, 3522.4598}
 
redms = {3.3733, 4.342, 4.0407, 2.5907, 4.2538, 6.5264, 2.6986, 3.7803, 
     2.7822, 4.448, 2.1696, 2.249, 1.4548, 6.2017, 1.4589, 1.396, 1.2938, 
     1.5988, 1.3543, 5.9206, 1.5063, 4.8149, 1.3511, 3.8966, 1.5236, 2.536, 
     2.3462, 2.0478, 2.7435, 1.3113, 1.3742, 1.1942, 1.0238, 3.4433, 1.315, 
     3.0179, 1.2718, 2.6211, 1.7736, 2.2757, 3.3627, 4.3299, 4.809, 10.88, 
     3.5516, 1.0881, 1.0938, 1.1002, 1.098, 1.0935, 1.0981, 1.1857, 1.1077, 
     1.226}
 
qmodes = {{{0., 0., 0.}, {0., 0., 0.}, {0.2, 0.07, 0.01}, 
      {-0.2, -0.07, 0.01}, {-0.13, 0., -0.01}, {0.13, 0., -0.01}, 
      {-0.16, 0., 0.}, {0.16, 0., 0.}, {0., 0., -0.01}, {0., 0., -0.01}, 
      {-0.24, 0.01, -0.02}, {0.24, -0.01, -0.02}, {-0.29, 0., 0.}, 
      {0.29, 0., 0.}, {0.39, 0.15, 0.02}, {-0.39, -0.15, 0.02}, 
      {0.13, 0.05, 0.}, {-0.13, -0.05, 0.}, {0.26, 0.1, 0.}, 
      {-0.26, -0.1, 0.}}, {{0.19, 0.03, 0.}, {0.21, 0.02, 0.}, 
      {0.05, 0.01, -0.03}, {0.05, 0.01, 0.03}, {0.17, 0.01, -0.01}, 
      {0.17, 0.01, 0.01}, {-0.09, 0., -0.01}, {-0.09, 0., 0.01}, 
      {-0.24, -0.01, 0.}, {-0.46, -0.02, 0.}, {0.26, 0.01, -0.03}, 
      {0.26, 0.01, 0.03}, {-0.19, 0., -0.02}, {-0.19, 0., 0.02}, 
      {0.11, 0.02, -0.07}, {0.11, 0.02, 0.07}, {-0.19, -0.04, -0.02}, 
      {-0.19, -0.04, 0.02}, {-0.34, -0.06, -0.04}, {-0.34, -0.06, 0.04}}, 
     {{0.1, 0.15, 0.}, {-0.03, 0.15, 0.}, {0.06, 0.04, 0.12}, 
      {0.06, 0.04, -0.12}, {-0.09, 0.1, -0.1}, {-0.09, 0.1, 0.1}, 
      {0., -0.06, -0.11}, {0., -0.06, 0.11}, {0.08, -0.13, 0.}, 
      {0.18, -0.22, 0.}, {-0.17, 0.15, -0.18}, {-0.17, 0.15, 0.18}, 
      {0.02, -0.12, -0.2}, {0.02, -0.12, 0.2}, {0.12, 0.11, 0.22}, 
      {0.12, 0.11, -0.22}, {-0.05, -0.15, 0.08}, {-0.05, -0.15, -0.08}, 
      {-0.11, -0.28, 0.15}, {-0.11, -0.28, -0.15}}, 
     {{0., 0., 0.}, {0., 0., 0.}, {0.01, 0., 0.01}, {-0.01, 0., 0.01}, 
      {-0.19, 0., -0.01}, {0.19, 0., -0.01}, {0.19, 0., -0.01}, 
      {-0.19, 0., -0.01}, {0., 0., -0.01}, {0., 0., -0.01}, 
      {-0.52, 0.02, -0.01}, {0.52, -0.02, -0.01}, {0.4, 0., 0.}, 
      {-0.4, 0., 0.}, {0.03, 0.01, 0.02}, {-0.03, -0.01, 0.02}, 
      {0.01, 0., 0.01}, {-0.01, 0., 0.01}, {0.02, 0.01, 0.01}, 
      {-0.02, -0.01, 0.01}}, {{0.24, -0.02, 0.}, {-0.02, -0.08, 0.}, 
      {0.14, 0.01, -0.08}, {0.14, 0.01, 0.08}, {-0.18, -0.07, 0.05}, 
      {-0.18, -0.07, -0.05}, {-0.06, 0.04, 0.06}, {-0.06, 0.04, -0.06}, 
      {0.17, 0.06, 0.}, {0.46, 0.11, 0.}, {-0.26, -0.09, 0.09}, 
      {-0.26, -0.09, -0.09}, {-0.05, 0.07, 0.12}, {-0.05, 0.07, -0.12}, 
      {0.2, 0., -0.15}, {0.2, 0., 0.15}, {-0.1, 0.04, -0.06}, 
      {-0.1, 0.04, 0.06}, {-0.26, 0.06, -0.11}, {-0.26, 0.06, 0.11}}, 
     {{0., 0., -0.14}, {0., 0., -0.01}, {0.01, 0.02, -0.22}, 
      {-0.01, -0.02, -0.22}, {-0.04, 0.06, 0.17}, {0.04, -0.06, 0.17}, 
      {0.01, 0.06, 0.21}, {-0.01, -0.06, 0.21}, {0., 0., 0.32}, 
      {0., 0., 0.31}, {0.03, 0., 0.25}, {-0.03, 0., 0.25}, 
      {0.05, 0.01, 0.14}, {-0.05, -0.01, 0.14}, {-0.01, -0.01, -0.24}, 
      {0.01, 0.01, -0.24}, {0.01, 0.01, -0.24}, {-0.01, -0.01, -0.24}, 
      {0.01, 0., -0.24}, {-0.01, 0., -0.24}}, {{0.04, 0.03, 0.}, 
      {-0.12, -0.04, 0.}, {0.05, 0.04, 0.01}, {0.05, 0.04, -0.01}, 
      {-0.07, -0.04, 0.02}, {-0.07, -0.04, -0.02}, {0.19, 0., 0.03}, 
      {0.19, 0., -0.03}, {-0.2, 0.01, 0.}, {-0.66, 0.04, 0.}, 
      {-0.16, -0.05, 0.05}, {-0.16, -0.05, -0.05}, {0.4, 0.01, 0.05}, 
      {0.4, 0.01, -0.05}, {0.08, 0.05, 0.02}, {0.08, 0.05, -0.02}, 
      {-0.03, 0., 0.01}, {-0.03, 0., -0.01}, {-0.07, -0.02, 0.01}, 
      {-0.07, -0.02, -0.01}}, {{-0.05, 0.16, 0.}, {-0.05, -0.16, 0.}, 
      {0.01, 0.17, 0.12}, {0.01, 0.17, -0.12}, {0.06, -0.15, 0.06}, 
      {0.06, -0.15, -0.06}, {-0.05, -0.04, 0.09}, {-0.05, -0.04, -0.09}, 
      {0.05, 0.05, 0.}, {0.18, 0.14, 0.}, {0.26, -0.22, 0.16}, 
      {0.26, -0.22, -0.16}, {-0.11, 0.01, 0.17}, {-0.11, 0.01, -0.17}, 
      {0.06, 0.25, 0.23}, {0.06, 0.25, -0.23}, {-0.02, -0.03, 0.09}, 
      {-0.02, -0.03, -0.09}, {0.01, -0.14, 0.18}, {0.01, -0.14, -0.18}}, 
     {{-0.01, 0.03, 0.}, {0.3, 0.02, 0.}, {-0.06, 0.02, 0.03}, 
      {-0.06, 0.02, -0.03}, {-0.06, 0.02, 0.08}, {-0.06, 0.02, -0.08}, 
      {0.03, -0.08, 0.1}, {0.03, -0.08, -0.1}, {0., -0.03, 0.}, 
      {-0.2, 0.11, 0.}, {-0.57, 0.08, 0.05}, {-0.57, 0.08, -0.05}, 
      {-0.14, -0.08, 0.09}, {-0.14, -0.08, -0.09}, {-0.1, 0.02, 0.07}, 
      {-0.1, 0.02, -0.07}, {0.02, 0.01, 0.02}, {0.02, 0.01, -0.02}, 
      {0.04, -0.01, 0.04}, {0.04, -0.01, -0.04}}, {{0.03, -0.01, 0.}, 
      {-0.18, 0.16, 0.}, {0.04, -0.02, -0.02}, {0.04, -0.02, 0.02}, 
      {0.02, 0.16, 0.17}, {0.02, 0.16, -0.17}, {-0.03, -0.16, 0.19}, 
      {-0.03, -0.16, -0.19}, {0., -0.13, 0.}, {0.19, 0.16, 0.}, 
      {0.43, 0.19, 0.05}, {0.43, 0.19, -0.05}, {0.15, -0.22, 0.09}, 
      {0.15, -0.22, -0.09}, {0.02, -0.04, -0.05}, {0.02, -0.04, 0.05}, 
      {-0.01, 0.01, -0.02}, {-0.01, 0.01, 0.02}, {-0.06, 0.02, -0.04}, 
      {-0.06, 0.02, 0.04}}, {{0., 0., 0.}, {0., 0., 0.}, {0.11, 0.04, 0.}, 
      {-0.11, -0.04, 0.}, {0.06, 0., 0.}, {-0.06, 0., 0.}, {0.02, 0., 0.}, 
      {-0.02, 0., 0.}, {0., 0., 0.01}, {0., 0., 0.01}, {-0.34, 0.03, 0.}, 
      {0.34, -0.03, 0.}, {-0.23, 0., 0.}, {0.23, 0., 0.}, {0.27, 0.1, 0.01}, 
      {-0.27, -0.1, 0.01}, {-0.17, -0.06, -0.01}, {0.17, 0.06, -0.01}, 
      {-0.41, -0.15, -0.01}, {0.41, 0.15, -0.01}}, 
     {{0.21, 0.09, 0.}, {0.03, -0.03, 0.}, {-0.13, -0.02, 0.02}, 
      {-0.13, -0.02, -0.02}, {-0.05, -0.01, -0.01}, {-0.05, -0.01, 0.01}, 
      {-0.01, 0., -0.01}, {-0.01, 0., 0.01}, {-0.03, 0.01, 0.}, 
      {0.18, 0.01, 0.}, {0.28, -0.05, 0.02}, {0.28, -0.05, -0.02}, 
      {0.3, 0., 0.}, {0.3, 0., 0.}, {-0.48, -0.17, 0.}, {-0.48, -0.17, 0.}, 
      {0.06, 0.02, 0.01}, {0.06, 0.02, -0.01}, {-0.04, -0.05, 0.03}, 
      {-0.04, -0.05, -0.03}}, {{0., 0., 0.}, {0., 0., 0.}, 
      {0.05, 0.02, 0.01}, {-0.05, -0.02, 0.01}, {-0.1, 0., 0.}, 
      {0.1, 0., 0.}, {-0.04, 0., -0.01}, {0.04, 0., -0.01}, {0., 0., -0.01}, 
      {0., 0., -0.01}, {0.54, -0.04, -0.02}, {-0.54, 0.04, -0.02}, 
      {0.38, -0.01, 0.}, {-0.38, 0.01, 0.}, {0.11, 0.04, -0.01}, 
      {-0.11, -0.04, -0.01}, {-0.07, -0.02, 0.01}, {0.07, 0.02, 0.01}, 
      {-0.17, -0.06, 0.01}, {0.17, 0.06, 0.01}}, 
     {{0., 0., 0.1}, {0., 0., 0.26}, {-0.01, 0.03, -0.08}, 
      {0.01, -0.03, -0.08}, {0., -0.25, 0.09}, {0., 0.25, 0.09}, 
      {0., -0.24, 0.08}, {0., 0.24, 0.08}, {0., 0., -0.28}, {0., 0., -0.28}, 
      {-0.01, -0.13, -0.12}, {0.01, 0.13, -0.12}, {0.02, -0.07, 0.38}, 
      {-0.02, 0.07, 0.38}, {-0.01, -0.01, -0.19}, {0.01, 0.01, -0.19}, 
      {0., 0.01, -0.11}, {0., -0.01, -0.11}, {0.01, -0.03, -0.09}, 
      {-0.01, 0.03, -0.09}}, {{0.09, 0.03, 0.}, {-0.13, 0., 0.}, 
      {-0.03, -0.01, 0.}, {-0.03, -0.01, 0.}, {0.03, 0., 0.}, {0.03, 0., 0.}, 
      {0.05, -0.01, 0.}, {0.05, -0.01, 0.}, {0.08, 0., 0.}, 
      {-0.44, 0.01, 0.}, {-0.09, 0.01, 0.02}, {-0.09, 0.01, -0.02}, 
      {-0.59, 0., 0.}, {-0.59, 0., 0.}, {-0.16, -0.07, -0.01}, 
      {-0.16, -0.07, 0.01}, {0.01, 0.01, 0.}, {0.01, 0.01, 0.}, 
      {-0.04, -0.01, 0.}, {-0.04, -0.01, 0.}}, {{0., 0., 0.}, {0., 0., 0.}, 
      {-0.03, -0.02, 0.}, {0.03, 0.02, 0.}, {0.07, 0., 0.}, {-0.07, 0., 0.}, 
      {-0.1, 0., 0.}, {0.1, 0., 0.}, {0., 0., 0.01}, {0., 0., 0.01}, 
      {-0.32, 0.03, 0.}, {0.32, -0.03, 0.}, {0.56, -0.01, 0.01}, 
      {-0.56, 0.01, 0.01}, {0.21, 0.08, 0.01}, {-0.21, -0.08, 0.01}, 
      {-0.01, -0.01, 0.}, {0.01, 0.01, 0.}, {0.11, 0.04, 0.}, 
      {-0.11, -0.04, 0.}}, {{0., 0., 0.}, {0., 0., 0.}, {-0.09, -0.03, 0.}, 
      {0.09, 0.03, 0.}, {-0.03, 0., 0.}, {0.03, 0., 0.}, {0.04, 0., 0.}, 
      {-0.04, 0., 0.}, {0., 0., 0.}, {0., 0., 0.}, {0.13, -0.01, -0.01}, 
      {-0.13, 0.01, -0.01}, {-0.2, 0., 0.}, {0.2, 0., 0.}, 
      {0.54, 0.22, 0.01}, {-0.54, -0.22, 0.01}, {-0.05, -0.02, 0.}, 
      {0.05, 0.02, 0.}, {0.29, 0.1, 0.}, {-0.29, -0.1, 0.}}, 
     {{-0.03, -0.01, 0.}, {0.11, 0.02, 0.}, {-0.01, 0., 0.}, {-0.01, 0., 0.}, 
      {-0.13, 0., 0.01}, {-0.13, 0., -0.01}, {0.06, 0.01, 0.}, 
      {0.06, 0.01, 0.}, {0.03, -0.02, 0.}, {-0.25, -0.04, 0.}, 
      {0.58, -0.05, 0.}, {0.58, -0.05, 0.}, {-0.24, 0.02, 0.}, 
      {-0.24, 0.02, 0.}, {0.14, 0.06, -0.01}, {0.14, 0.06, 0.01}, 
      {-0.01, -0.01, 0.}, {-0.01, -0.01, 0.}, {0.12, 0.04, 0.}, 
      {0.12, 0.04, 0.}}, {{0.09, 0.03, 0.}, {-0.03, 0., 0.}, 
      {-0.08, -0.03, 0.}, {-0.08, -0.03, 0.}, {0.02, 0., 0.}, {0.02, 0., 0.}, 
      {-0.01, 0., 0.01}, {-0.01, 0., -0.01}, {0., 0., 0.}, {0.04, 0.02, 0.}, 
      {-0.08, 0.01, -0.01}, {-0.08, 0.01, 0.01}, {0.03, 0., 0.01}, 
      {0.03, 0., -0.01}, {0.36, 0.14, 0.}, {0.36, 0.14, 0.}, 
      {-0.04, -0.01, 0.01}, {-0.04, -0.01, -0.01}, {0.53, 0.21, 0.01}, 
      {0.53, 0.21, -0.01}}, {{-0.04, 0.17, 0.}, {-0.02, -0.01, 0.}, 
      {-0.06, 0.12, -0.19}, {-0.06, 0.12, 0.19}, {0.01, 0., -0.01}, 
      {0.01, 0., 0.01}, {0., -0.01, 0.01}, {0., -0.01, -0.01}, 
      {0., 0.02, 0.}, {0.03, 0.06, 0.}, {-0.04, 0., -0.01}, 
      {-0.04, 0., 0.01}, {-0.01, -0.01, 0.01}, {-0.01, -0.01, -0.01}, 
      {-0.09, 0.26, 0.13}, {-0.09, 0.26, -0.13}, {0.08, -0.24, -0.3}, 
      {0.08, -0.24, 0.3}, {0.08, -0.09, -0.41}, {0.08, -0.09, 0.41}}, 
     {{0., 0., 0.}, {-0.01, 0., 0.}, {0., 0., 0.}, {0., 0., 0.}, 
      {-0.01, 0., 0.}, {-0.01, 0., 0.}, {0.09, 0., 0.}, {0.09, 0., 0.}, 
      {-0.17, 0., 0.}, {0.84, 0.01, 0.}, {-0.02, 0., 0.}, {-0.02, 0., 0.}, 
      {-0.35, 0., -0.01}, {-0.35, 0., 0.01}, {-0.01, -0.01, 0.}, 
      {-0.01, -0.01, 0.}, {0., 0., 0.}, {0., 0., 0.}, {0., 0., 0.}, 
      {0., 0., 0.}}, {{0., 0., 0.19}, {0., 0., 0.17}, {-0.1, 0.29, 0.02}, 
      {0.1, -0.29, 0.02}, {0.01, 0.11, 0.01}, {-0.01, -0.11, 0.01}, 
      {0., 0.08, -0.08}, {0., -0.08, -0.08}, {0., 0., -0.02}, 
      {0., 0., -0.03}, {-0.04, 0.18, -0.07}, {0.04, -0.18, -0.07}, 
      {0.01, 0.04, -0.18}, {-0.01, -0.04, -0.18}, {-0.09, 0.24, -0.14}, 
      {0.09, -0.24, -0.14}, {-0.01, 0.03, -0.11}, {0.01, -0.03, -0.11}, 
      {0.14, -0.34, 0.19}, {-0.14, 0.34, 0.19}}, {{-0.02, -0.01, 0.}, 
      {0.01, 0., 0.}, {0.09, 0.04, 0.}, {0.09, 0.04, 0.}, {0., 0., 0.01}, 
      {0., 0., -0.01}, {0., 0., 0.}, {0., 0., 0.}, {0., -0.01, 0.}, 
      {0., -0.03, 0.}, {-0.01, -0.01, 0.03}, {-0.01, -0.01, -0.03}, 
      {0., 0., -0.01}, {0., 0., 0.01}, {-0.48, -0.19, -0.02}, 
      {-0.48, -0.19, 0.02}, {-0.08, -0.03, 0.}, {-0.08, -0.03, 0.}, 
      {0.44, 0.15, 0.01}, {0.44, 0.15, -0.01}}, {{0., 0., -0.05}, 
      {0., 0., -0.07}, {-0.07, 0.1, 0.04}, {0.07, -0.1, 0.04}, 
      {0., -0.17, -0.15}, {0., 0.17, -0.15}, {0., -0.1, 0.02}, 
      {0., 0.1, 0.02}, {0., 0., 0.3}, {0., 0., 0.32}, {0., -0.16, -0.21}, 
      {0., 0.16, -0.21}, {0., -0.2, -0.11}, {0., 0.2, -0.11}, 
      {0.06, 0.19, 0.09}, {-0.06, -0.19, 0.09}, {0.06, 0.03, 0.}, 
      {-0.06, -0.03, 0.}, {-0.25, -0.27, 0.13}, {0.25, 0.27, 0.13}}, 
     {{0., 0., 0.01}, {0., 0., 0.01}, {-0.05, -0.04, -0.01}, 
      {0.05, 0.04, -0.01}, {0., 0.04, 0.03}, {0., -0.04, 0.03}, 
      {0., 0.02, 0.}, {0., -0.02, 0.}, {0., 0., -0.06}, {0., 0., -0.07}, 
      {0.01, 0.04, 0.03}, {-0.01, -0.04, 0.03}, {0., 0.04, 0.02}, 
      {0., -0.04, 0.02}, {0.3, 0.1, 0.}, {-0.3, -0.1, 0.}, {0.11, 0.04, 0.}, 
      {-0.11, -0.04, 0.}, {-0.58, -0.16, -0.04}, {0.58, 0.16, -0.04}}, 
     {{0., 0., -0.02}, {0., 0., -0.04}, {-0.01, 0.03, 0.01}, 
      {0.01, -0.03, 0.01}, {0., -0.16, 0.01}, {0., 0.16, 0.01}, 
      {0., 0.2, -0.01}, {0., -0.2, -0.01}, {0., 0., -0.05}, {0., 0., -0.06}, 
      {0., -0.33, 0.29}, {0., 0.33, 0.29}, {0., 0.36, 0.26}, 
      {0., -0.36, 0.26}, {-0.02, 0.07, 0.11}, {0.02, -0.07, 0.11}, 
      {0.01, -0.03, -0.01}, {-0.01, 0.03, -0.01}, {0.04, -0.13, 0.06}, 
      {-0.04, 0.13, 0.06}}, {{0., 0., -0.13}, {0., 0., -0.14}, 
      {-0.02, 0.05, 0.05}, {0.02, -0.05, 0.05}, {0., 0.06, 0.05}, 
      {0., -0.06, 0.05}, {0., -0.08, 0.06}, {0., 0.08, 0.06}, 
      {0., 0., -0.11}, {0., 0., -0.11}, {0., 0.02, 0.13}, {0., -0.02, 0.13}, 
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