0.0349,0.5347,0.1201,3.5867,0.197,12.3471,0.0573,18.9525,0.1195,38.6269, H
0.0317,0.2507,0.0838,1.4751,0.1526,4.4938,0.1334,12.6646,0.0164,31.1653, He
0.075,0.3864,0.2249,2.9383,0.5548,15.3829,1.4954,53.5545,0.9354,138.7337, Li
0.0046,0.0358,0.0165,0.239,0.0435,0.879,0.0649,2.64,0.027,7.09, Li+1
0.078,0.3131,0.221,2.2381,0.674,10.1517,1.3867,30.9061,0.6925,78.3273, Be
0.0034,0.0267,0.0103,0.162,0.0233,0.531,0.0325,1.48,0.012,3.88, Be+2
0.0909,0.2995,0.2551,2.1155,0.7738,8.3816,1.2136,24.1292,0.4606,63.1314, B
0.0893,0.2465,0.2563,1.71,0.757,6.4094,1.0487,18.6113,0.3575,50.2523, C
0.1022,0.2451,0.3219,1.7481,0.7982,6.1925,0.8197,17.3894,0.1715,48.1431, N
0.0974,0.2067,0.2921,1.3815,0.691,4.6943,0.699,12.7105,0.2039,32.4726, O
0.205,0.397,0.628,0.264,1.17,8.8,1.03,27.1,0.29,91.8, O-1
0.1083,0.2057,0.3175,1.3439,0.6487,4.2788,0.5846,11.3932,0.1421,28.7881, F
0.134,0.228,0.391,1.47,0.814,4.68,0.928,13.2,0.347,36, F-1
0.1269,0.22,0.3535,1.3779,0.5582,4.0203,0.4674,9.4934,0.146,23.1278, Ne
0.2142,0.334,0.6853,2.3446,0.7692,10.083,1.6589,48.3037,1.4482,137.27, Na
0.0256,0.0397,0.0919,0.287,0.297,1.18,0.514,3.75,0.199,10.8, Na+1
0.2314,0.3278,0.6866,2.272,0.9677,10.9241,2.1182,32.2898,1.1339,101.9748, Mg
0.021,0.0331,0.0672,0.222,0.198,0.838,0.368,2.48,0.174,6.75, Mg+2
0.239,0.3138,0.6573,2.1063,1.2011,10.4163,2.5586,34.4552,1.2312,98.5344, Al
0.0192,0.0306,0.0579,0.198,0.163,0.713,0.284,2.04,0.114,5.25, Al+3
0.2519,0.3075,0.6372,2.0174,1.3795,9.6746,2.5082,29.3744,1.05,80.4732, Si_v
0.192,0.359,0.289,1.96,0.1,9.34,-0.0728,11.1,0.0012,13.4, Si+4
0.2548,0.2908,0.6106,1.874,1.4541,8.5176,2.3204,24.3434,0.8477,63.2996, P
0.2497,0.2681,0.5628,1.6711,1.3899,7.0267,2.1865,19.5377,0.7715,50.3888, S
0.2443,0.2468,0.5397,1.5242,1.3919,6.1537,2.0197,16.6687,0.6621,42.3086, Cl
0.265,0.252,0.596,1.56,1.6,6.21,2.69,17.8,1.23,47.8, Cl-1
0.2385,0.2289,0.5017,1.3694,1.3128,5.2561,1.8899,14.0928,0.6079,35.5361,Ar
0.4115,0.3703,1.4031,3.3874,2.2784,13.1029,2.6742,68.9592,2.2162,194.4329,K
0.199,0.192,0.396,1.1,0.928,3.91,1.45,9.75,0.45,23.4,K+1
0.4054,0.3499,1.88,3.0991,2.1602,11.9608,3.7532,53.9353,2.2063,142.3892,Ca
0.164,0.157,0.327,0.894,0.743,3.15,1.16,7.67,0.307,17.7,Ca+2
0.3787,0.3133,1.2181,2.5856,2.0594,9.5813,3.2618,41.7688,2.387,116.7282,Sc
0.163,0.157,0.307,0.899,0.716,3.06,0.88,7.05,0.139,16.1,Sc+3
0.3825,0.304,1.2598,2.4863,2.0008,9.2783,3.0617,39.0751,2.0694,109.4583,Ti
0.399,0.376,1.04,2.74,1.21,8.1,-0.0797,14.2,0.352,23.2,Ti+2
0.364,0.364,0.919,2.67,1.35,8.18,-0.933,11.8,0.589,14.9,Ti+3
0.116,0.108,0.256,0.655,0.565,2.38,0.772,5.51,0.32,12.3,Ti+4
0.3876,0.2967,1.275,2.378,1.9109,8.7981,2.8314,35.9528,1.8979,101.7201,V
0.317,0.269,0.939,2.09,1.49,7.22,-1.31,15.2,1.47,17.6,V+2
0.341,0.321,0.805,2.23,0.942,5.99,0.0783,13.4,0.156,16.9,V+3
0.0367,0.033,0.124,0.222,0.244,0.824,0.723,2.8,0.435,6.7,V+5
0.4046,0.2986,1.3696,2.3958,1.8941,9.1406,2.08,37.4701,1.2196,113.7121,Cr
0.237,0.177,0.634,1.35,1.23,4.3,0.713,12.2,0.0859,39,Cr+2
0.393,0.359,1.05,2.57,1.62,8.68,-1.15,11,0.407,15.8,Cr+3
0.3796,0.2699,1.2094,2.0455,1.7815,7.4726,2.542,31.0604,1.5937,91.5622,Mn
0.0576,0.0398,0.21,0.284,0.604,1.29,1.32,4.23,0.659,14.5,Mn+2
0.116,0.0117,0.523,0.876,0.881,3.06,0.589,6.44,0.214,14.3,Mn+3
0.381,0.354,1.83,2.72,-1.33,3.47,0.995,5.47,0.0618,16.1,Mn+4
0.3946,0.2717,1.2725,2.0443,1.7031,7.6007,2.314,29.9714,1.4795,86.2265,Fe
0.307,0.23,0.838,1.62,1.11,4.87,0.28,10.7,0.277,19.2,Fe+2
0.198,0.154,0.384,0.893,0.889,2.62,0.709,6.65,0.117,18, Fe+3
0.4118,0.2742,1.3161,2.0372,1.6493,7.7205,2.193,29.968,1.283,84.9383,Co
0.213,0.148,0.488,0.939,0.998,2.78,0.828,7.31,0.23,20.7,Co+2
0.331,0.267,0.487,1.41,0.729,2.89,0.608,6.45,0.131,15.8,Co+3
0.386,0.2478,1.1765,1.766,1.5451,6.3107,2.073,25.2204,1.3814,74.3146,Ni
0.338,0.237,0.982,1.67,1.32,5.73,-3.56,11.4,3.62,12.1,Ni+2
0.347,0.26,0.877,1.71,0.79,4.75,0.0538,7.51,0.192,13,Ni+3
0.4314,0.2694,1.3208,1.9223,1.5236,7.3474,1.4671,28.9892,0.8562,90.6246,Cu
0.312,0.201,0.812,1.31,1.11,3.8,0.794,10.5,0.257,28.2,Cu+1
0.224,0.145,0.544,0.933,0.97,2.69,0.727,7.11,0.1882,19.4,Cu+2
0.4288,0.2593,1.2646,1.7998,1.4472,6.75,1.8294,25.586,1.0934,73.5284,Zn
0.252,0.161,0.6,1.01,0.917,2.76,0.663,7.08,0.161,19,Zn+2
0.4818,0.2825,1.4032,1.9785,1.6561,8.7546,2.4605,32.5238,1.1054,98.5523,Ga
0.391,0.264,0.947,1.65,0.69,4.82,0.0709,10.7,0.0653,15.2,Ga+3
0.4655,0.2647,1.3014,1.7926,1.6088,7.6071,2.6998,26.5541,1.3003,77.5238,Ge
0.346,0.232,0.83,1.45,0.599,4.08,0.0949,13.2,-0.0217,29.5,Ge+4
0.4517,0.2493,1.2229,1.6436,1.5852,6.8154,2.7958,22.3681,1.2638,62.039,As
0.4477,0.2405,1.1678,1.5442,1.5843,6.3231,2.8087,19.461,1.1956,52.0233,Se
0.4798,0.2504,1.1948,1.5963,1.8695,6.9653,2.6953,19.8492,0.8203,50.3233,Br
0.125,0.053,0.563,0.469,1.43,2.15,3.25,11.1,3.22,38.9,Br-1
0.4546,0.2309,1.0993,1.4279,1.76966,5.9449,2.7068,16.6752,0.8672,42.2243, Kr
1.016,0.4853,2.8528,5.0925,3.5466,25.7851,-7.7804,130.4515,12.1148,138.6775, Rb
0.368,0.187,0.884,1.12,1.12,3.98,2.26,10.9,0.881,26.6,Rb+1
0.6703,0.319,1.4926,2.2287,3.3368,10.3504,4.46,52.3291,3.1501,151.2216,Sr
0.346,0.176,0.804,1.04,0.988,3.59,1.89,9.32,0.609,21.4,Sr+2
0.6894,0.3189,1.5474,2.2904,3.245,10.0062,4.2126,44.0771,2.9764,125.012,Y
0.465,0.24,0.923,1.43,2.41,6.45,-2.31,9.97,2.48,12.2,Y+3
0.6719,0.3036,1.4684,2.1249,3.1668,8.9236,3.9957,36.8458,2.892,108.2049,Zr
0.34,0.113,0.642,0.736,0.747,2.54,1.47,6.72,0.377,14.7,Zr+4
0.6123,0.2709,1.2677,1.7683,3.0348,7.2489,3.3841,27.9465,2.3683,98.5624,Nb
0.377,0.184,0.749,1.02,1.29,3.8,1.61,9.44,0.481,25.7,Nb+3
0.0828,0.0369,0.271,0.261,0.654,0.957,1.24,3.94,0.829,9.44,Nb+5
0.6773,0.292,1.4798,2.0606,3.1788,8.1129,3.0824,30.5336,1.8384,100.0658,Mo
0.401,0.191,0.756,1.06,1.38,3.84,1.58,9.38,0.497,24.6,Mo+3
0.479,0.241,0.846,1.46,15.6,6.79,-15.2,7.13,1.6,10.4,Mo+5
0.203,0.0971,0.567,0.647,0.646,2.28,1.16,5.61,0.171,12.4,Mo+6
0.7082,0.2976,1.6392,2.2106,3.1993,8.5246,3.4327,33.1456,1.8711,96.6377,Tc
0.6735,0.2773,1.4934,1.9716,3.0966,7.3249,2.7254,26.6891,1.5597,90.5581,Ru
0.428,0.191,0.773,1.09,1.55,3.82,1.46,9.08,0.486,21.7,Ru+3
0.2882,0.125,0.653,0.753,1.14,2.85,1.53,7.01,0.418,17.5,Ru+4
0.6413,0.258,1.369,1.7721,2.9854,6.3854,2.6952,23.2549,1.5433,58.1517,Rh
0.352,0.151,0.723,0.878,1.5,3.28,1.63,8.16,0.499,20.7,Rh+3
0.397,0.177,0.725,1.01,1.51,3.62,1.19,8.56,0.251,18.9,Rh+4
0.5904,0.2324,1.1775,1.5019,2.6519,5.1591,2.2875,15.5428,0.8689,46.8213,Pd
0.935,0.393,3.11,4.06,24.6,43.1,-43.6,54,21.2,69.8,Pd+2
0.348,0.151,0.64,0.832,1.22,2.85,1.45,6.59,0.427,15.6,Pd+4
0.6377,0.2466,1.379,1.6974,2.8294,5.7656,2.3631,20.0943,1.4553,76.7372,Ag
0.503,0.199,0.94,1.19,2.17,4.05,1.99,11.3,0.726,32.4,Ag+1
0.431,0.175,0.756,0.979,1.72,3.3,1.78,8.24,0.526,21.4,Ag+2
0.6364,0.2407,1.4247,1.6823,2.7802,5.6588,2.5973,20.7219,1.7886,69.1109,Cd
0.425,0.168,0.745,0.944,1.73,3.14,1.74,7.84,0.487,20.4,Cd+2
0.6768,0.2522,1.6589,1.8545,2.774,6.2936,3.1835,25.1457,2.1326,84.5448,In
0.417,0.164,0.755,0.96,1.59,3.08,1.36,7.03,0.451,16.1,In+3
0.7224,0.2651,1.961,2.0604,2.7161,7.3011,3.5603,27.5493,1.8972,81.3349,Sn
0.797,0.317,2.13,2.51,2.15,9.04,-1.64,24.2,2.72,26.4,Sn+2
0.261,0.0957,0.642,0.625,1.53,2.51,1.36,6.31,0.177,15.9,Sn+4
0.7106,0.2562,1.9247,1.9646,2.6149,6.8852,3.8322,24.7648,1.8899,68.9168,Sb
0.552,0.212,1.14,1.42,1.87,4.21,1.36,12.5,0.414,29,Sb+3
0.377,0.151,0.588,0.812,1.22,2.4,1.18,5.27,0.244,11.9,Sb+5
0.6947,0.2459,1.869,1.8542,2.5356,6.4411,4.0013,22.173,1.8955,59.2206,Te
0.7047,0.2455,1.9484,1.8638,2.594,6.7639,4.1526,21.8007,1.5057,56.4395,I
0.901,0.312,2.8,2.59,5.61,4.1,-8.69,34.4,12.6,39.5,I-1
0.6737,0.2305,1.7908,1.689,2.4129,5.8218,4.51,18.3928,1.7058,47.2496,Xe
1.2704,0.4356,3.8018,4.2058,5.6618,23.4342,0.9205,136.7783,4.8105,171.7561,//Cs
0.587,0.2,1.4,1.38,1.87,4.12,3.48,13,1.67,31.8,Cs+1
0.9049,0.3066,2.6076,2.4363,4.8498,12.1821,5.1603,54.6135,4.7388,161.9978,Ba
0.733,0.258,2.05,1.96,23,11.8,-152,14.4,134,14.9,Ba+2
0.8405,0.2791,2.3863,2.141,4.6139,10.34,4.1514,41.9148,4.7949,132.0204,La
0.493,0.167,1.1,1.11,1.5,3.11,2.7,9.61,1.08,21.2,La+3
0.8551,0.2805,2.3915,2.12,4.5772,10.1808,5.0278,42.0633,4.5118,130.9893,Ce
0.56,0.19,1.35,1.3,1.59,3.93,2.63,10.7,0.706,23.8,Ce+3
0.483,0.165,1.09,1.1,1.34,3.02,2.45,8.85,0.797,18.8,Ce+4
0.9096,0.2939,2.5313,2.2471,4.5266,10.8266,4.6376,48.8842,4.369,147.602,Pr
0.663,0.226,1.73,1.61,2.35,6.33,0.351,11,1.59,16.9,Pr+3
0.512,0.177,1.19,1.17,1.33,3.28,2.36,8.94,0.69,19.3,Pr+4
0.8807,0.2802,2.4183,2.0836,4.4448,10.0357,4.6858,47.4506,4.1725,146.9976,Nd
0.501,0.162,1.18,1.08,1.45,3.06,2.53,8.8,0.92,19.6,Nd+3
0.9471,0.2977,2.5463,2.2276,4.3523,10.5762,4.4789,49.3619,3.908,145.358,Pm
0.496,0.156,1.2,1.05,1.47,3.07,2.43,8.56,0.943,19.2,Pm+3
0.9699,0.3003,2.5837,2.2447,4.2778,10.6487,4.4575,50.7994,3.5985,146.4176,Sm
0.518,0.163,1.24,1.08,1.43,3.11,2.4,8.52,0.781,19.1,Sm+3
0.8694,0.2653,2.2413,1.859,3.9196,8.3998,3.9694,36.7397,4.5498,125.7089,Eu
0.613,0.19,1.53,1.27,1.84,4.18,2.46,10.7,0.714,26.2,Eu+2
0.496,0.152,1.21,1.01,1.45,2.95,2.36,8.18,0.774,18.5,Eu+3
0.9673,0.2909,2.4702,2.1014,4.1148,9.7067,4.4972,43.427,3.2099,125.9474,Gd
0.49,0.148,1.19,0.974,1.42,2.81,2.3,7.78,0.795,17.7,Gd+3
0.9325,0.2761,2.3673,1.9511,3.8791,8.9296,3.9674,41.5937,3.7996,131.0122,Tb
0.503,0.15,1.22,0.982,1.42,2.86,2.24,7.77,0.71,17.7,Tb+3
0.9505,0.2773,2.3705,1.9469,3.8218,8.8862,4.0471,43.0938,3.4451,133.1396,Dy
0.503,0.148,1.24,0.97,1.44,2.88,2.17,7.73,0.643,17.6,Dy+3
0.9248,0.266,2.2428,1.8183,3.6182,7.9655,3.791,33.1129,3.7912,101.8139,Ho
0.456,0.129,1.17,0.869,1.43,2.61,2.15,7.24,0.692,16.7,Ho+3
1.0373,0.2944,2.4824,2.0797,3.6558,9.4156,3.8925,45.8056,3.0056,132.772,Er
0.522,0.15,1.28,0.964,1.46,2.93,2.05,7.72,0.508,17.8,Er+3
1.0075,0.2816,2.3787,1.9486,3.544,8.7162,3.6932,41.842,3.1759,125.032,Tm
0.475,0.132,1.2,0.864,1.42,2.6,2.05,7.09,0.584,16.6,Tm+3
1.0347,0.2855,2.3911,1.9679,3.4619,8.7619,3.6556,42.3304,3.0052,125.6499,Yb
0.508,0.136,1.37,0.922,1.76,3.12,2.23,8.722,0.584,23.7,Yb+2
0.498,0.138,1.22,0.881,1.39,2.63,1.97,6.99,0.559,16.3,Yb+3
0.9927,0.2701,2.2436,1.8073,3.3554,7.8112,3.7813,34.4849,3.0994,103.3526,Lu
0.483,0.131,1.21,0.845,1.41,2.57,1.94,6.88,0.522,16.2,Lu+3
1.0295,0.2761,2.2911,1.8625,3.411,8.0961,3.9497,34.2712,2.4925,98.5295,Hf
0.522,0.145,1.22,0.896,1.37,2.74,1.68,6.91,0.312,16.1,Hf+4
1.019,0.2694,2.2291,1.7962,3.4097,7.6944,3.9252,31.0942,2.2679,91.1089,Ta
0.569,0.161,1.26,0.972,0.979,2.76,1.29,5.4,0.551,10.9,Ta+5
0.9853,0.2569,2.1167,1.6745,3.357,7.0098,3.7981,26.9234,2.2798,81.391,W
0.181,0.0118,0.873,0.442,1.18,1.52,1.48,4.35,0.56,9.42,W+6
0.9914,0.2548,2.0858,1.6518,3.4531,6.8845,3.8812,26.7234,1.8526,81.7215,Re
0.9813,0.2487,2.0322,1.5973,3.3665,6.4737,3.6235,23.2817,1.9741,70.9254,Os
0.586,0.155,1.31,0.938,1.63,3.19,1.71,7.84,0.54,19.3,Os+4
1.0194,0.2554,2.0645,1.6475,3.4425,6.5966,3.4914,23.2269,1.6976,70.0272,Ir
0.692,0.182,1.37,1.04,1.8,3.47,1.97,8.51,0.804,21.2,Ir+3
0.653,0.174,1.29,0.992,1.5,3.14,1.74,7.22,0.683,17.2,Ir+4
0.9148,0.2263,1.8096,1.3813,3.2134,5.3243,3.2953,17.5987,1.5754,60.0171,Pt
0.872,0.223,1.68,1.35,2.63,4.99,1.93,13.6,0.475,33,Pt+2
0.55,0.142,1.21,0.833,1.62,2.81,1.95,7.21,0.61,17.7,Pt+4
0.9674,0.2358,1.8916,1.4712,3.3993,5.6758,3.0524,18.7119,1.2607,61.5286,Au
0.811,0.201,1.57,1.18,2.63,4.25,2.68,12.1,0.998,34.4,Au+1
0.722,0.184,1.39,1.06,1.94,3.58,1.94,8.56,0.699,20.4,Au+3
1.0033,0.2413,1.9469,1.5298,3.4396,5.8009,3.1548,19.452,1.418,60.5753,Hg
0.796,0.194,1.56,1.14,2.72,4.21,2.76,12.4,1.18,36.2,Hg+1
0.773,0.191,1.49,1.12,2.45,4,2.23,1.08,0.57,27.6,Hg+2
1.0689,0.254,2.1038,1.6715,3.6039,6.3509,3.4927,23.1531,1.8283,78.7099,Tl
0.82,0.197,1.57,1.16,2.78,4.23,2.82,12.7,1.31,35.7,Tl+1
0.836,0.208,1.43,1.2,0.394,2.57,2.51,4.86,1.5,13.5,Tl+3
1.0891,0.2552,2.1867,1.7174,3.616,6.5131,3.8031,23.917,1.8994,74.7039,Pb
0.755,0.181,1.44,1.05,2.48,3.75,2.45,10.6,1.03,27.9,Pb+2
0.583,0.144,1.14,0.796,1.6,2.58,2.06,6.22,0.662,14.8,Pb+4
1.1007,0.2546,2.2306,1.7351,3.5689,6.4948,4.1549,23.6464,2.0382,70.378,Bi
0.708,0.17,1.35,0.981,2.28,3.44,2.18,9.41,0.797,23.7,Bi+3
0.654,0.162,1.18,0.905,1.25,2.68,1.66,5.14,0.778,11.2,Bi+5
1.1568,0.2648,2.4353,1.8786,3.6459,7.1749,4.4064,25.1766,1.7179,69.2821,Po
1.0909,0.2466,2.1976,1.6707,3.3831,6.0197,4.67,207657,2.1277,57.2663,At
1.0756,0.2402,2.163,1.6169,3.3178,5.7644,4.8852,19.4568,2.0489,52.5009,Rn
1.4282,0.3183,3.5081,2.6889,5.6767,13.4816,4.1964,54.3866,3.8946,200.8321,Fr
1.3127,0.2887,3.1243,2.2897,5.2988,10.8276,5.3891,43.5389,5.4133,145.6109,Ra
0.911,0.204,1.65,1.26,2.53,1.03,3.62,12.6,1.58,30,Ra+2
1.3128,0.2861,3.1021,2.2509,5.3385,10.5287,5.9611,41.7796,4.7562,128.2973,Ac
0.915,0.205,1.64,1.28,2.26,3.92,3.18,11.3,1.25,25.1,Ac+3
1.2553,0.2701,2.9178,2.0636,5.0862,9.3051,6.1206,34.5977,4.7122,107.92,Th
0,0,0,0,0,0,0,0,0,0, Th+4
1.3218,0.2827,3.1444,2.225,5.4371,10.2454,5.6444,41.1162,4.0107,124.4449,Pa
1.3382,0.2838,3.2043,2.2452,5.4558,10.2519,5.4839,41.7251,3.6342,124.9023,U
1.14,0.25,2.48,1.84,3.61,7.39,1.13,18,0.9,22.7,U+3
1.09,0.243,2.32,1.75,12,7.79,-9.11,8.31,2.15,16.5,U+4
0.687,0.154,1.14,0.861,1.83,2.58,2.53,7.7,0.957,15.9,U+6
1.5193,0.3213,4.0053,2.8206,6.5327,14.8878,-0.1402,68.9103,6.7489,81.7257,Np
0,0,0,0,0,0,0,0,0,0,Np+3
0,0,0,0,0,0,0,0,0,0,Np+4
0,0,0,0,0,0,0,0,0,0,Np+6
1.3517,0.2813,3.2937,2.2418,5.3212,9.9952,4.6466,42.7939,3.5714,132.1739,Pu
0,0,0,0,0,0,0,0,0,0,Pu+3
0,0,0,0,0,0,0,0,0,0,Pu+4
0,0,0,0,0,0,0,0,0,0,Pu+6
1.2135,0.2483,2.7962,1.8437,4.7545,7.5421,4.5731,29.3841,4.4786,112.4579,Am
1.2937,0.2638,3.11,2.0341,5.0393,8.7101,4.7546,35.2992,3.5031,109.4972,Cm
1.2915,0.2611,3.1023,2.0023,4.9309,8.4377,4.6009,34.1559,3.4661,105.8911,Bk
1.2089,0.2421,2.7391,1.7487,4.3482,6.7262,4.0047,23.2153,4.6497,80.3108,Cf
# Atomic groups:,,,,,,,,,,
0.1796,73.76,0.8554,5.399,1.75,27.15,0.05001,0.1116,0.2037,1.062,CH
0.1575,89.04,0.8528,4.637,2.359,30.92,0.00496,-0.344,0.1935,0.6172, CH2
0.4245,4.092,0.4256,4.094,0.2008,74.32,2.884,33.65,0.16,0.4189, CH3
0.1568,64.9,0.222,1.017,0.8391,4.656,1.469,23.17,0.05579,0.11, NH
1.991,25.94,0.2351,74.54,0.8575,3.893,5.336,0.3422,-5.147,0.3388, NH2
-0.1646,168.7,0.2896,147.3,0.838,3.546,0.1736,0.4059,2.668,29.57, NH3
0.1597,53.82,0.2445,0.7846,0.8406,4.042,1.235,20.92,0.03234,-0.01414, OH
-78.51,9.013,80.62,9.014,0.6401,1.924,2.665,37.71,0.2755,0.2941, SH
# Ions that had no x-ray form factors:,,,,,,,,,,
0.0421,0.0609,0.21,0.559,0.852,2.96,1.82,11.5,1.17,37.7, O-2
0.132,0.109,0.292,0.695,0.703,2.39,0.692,5.65,0.0959,14.7, Cr+4