SN1 tert.-butyl cation + chloride
Author: Dennis Svatunek
Date:
18.02.2024
Version:
1.1
License:
CC BY-NC
Description:
SN1 tert.-butyl cation + chloride
View Code
<script src="https://code.jquery.com/jquery-3.6.0.min.js"></script>
<script src="https://3Dmol.org/build/3Dmol-min.js"></script>
<div style="text-align: center;">
<div id="content-container" style="display: flex; justify-content: center; align-items: center; gap: 20px; margin-bottom: 20px; background-color: #f9f9f9; border-radius: 15px; overflow:hidden;">
<div id="D0406" style="flex: 1; min-width: 200px; max-width: 1000px; max-height: 400px"></div>
</div>
<input type="range" min="0" max="100" value="0" class="slider" id="D0406_slider" style="width: 80%; display: block; margin: auto; background-color: black; margin-bottom: 20px;" />
</div>
<script>
(function() {
function adjustSquares() {
var elements = document.querySelectorAll('#D0406');
elements.forEach(function(el) {
var width = el.offsetWidth;
el.style.height = width + 'px'; // Set the height equal to the width
});
}
window.addEventListener('resize', adjustSquares);
window.addEventListener('load', adjustSquares);
var viewer;
$(document).ready(function() {
viewer = $3Dmol.createViewer("D0406", {defaultcolors: $3Dmol.elementColors.Jmol});
var xyz = ` 14\nStep 1: E=-618.068691659\nC 0.000 0.000 0.000\nCl 3.505 -0.002 -0.019\nC -0.053 1.418 0.374\nH 0.668 1.999 -0.228\nH -1.049 1.783 0.034\nH 0.061 1.603 1.450\nC -0.051 -1.032 1.041\nH -1.059 -0.937 1.507\nH 0.084 -2.055 0.665\nH 0.650 -0.792 1.860\nC -0.053 -0.384 -1.415\nH -1.059 -0.839 -1.564\nH 0.078 0.455 -2.111\nH 0.652 -1.209 -1.618\n 14\nStep 2: E=-618.068982926\nC 0.000 0.000 0.000\nCl 3.475 -0.002 -0.019\nC -0.065 1.418 0.373\nH 0.645 2.008 -0.231\nH -1.068 1.772 0.043\nH 0.055 1.603 1.449\nC -0.062 -1.032 1.041\nH -1.076 -0.937 1.494\nH 0.075 -2.055 0.667\nH 0.630 -0.794 1.867\nC -0.065 -0.385 -1.415\nH -1.078 -0.829 -1.556\nH 0.066 0.453 -2.112\nH 0.631 -1.215 -1.625\n 14\nStep 3: E=-618.069273443\nC 0.000 0.000 0.000\nCl 3.444 -0.002 -0.018\nC -0.075 1.418 0.373\nH 0.626 2.018 -0.233\nH -1.084 1.759 0.049\nH 0.047 1.603 1.449\nC -0.072 -1.032 1.041\nH -1.092 -0.933 1.481\nH 0.064 -2.055 0.668\nH 0.611 -0.797 1.875\nC -0.075 -0.385 -1.414\nH -1.093 -0.821 -1.546\nH 0.054 0.451 -2.113\nH 0.613 -1.220 -1.631\n 14\nStep 4: E=-618.06956794\nC 0.000 0.000 0.000\nCl 3.415 -0.002 -0.018\nC -0.080 1.418 0.373\nH 0.610 2.024 -0.238\nH -1.096 1.750 0.057\nH 0.046 1.604 1.448\nC -0.078 -1.032 1.041\nH -1.102 -0.934 1.471\nH 0.062 -2.055 0.669\nH 0.598 -0.797 1.882\nC -0.082 -0.386 -1.414\nH -1.104 -0.812 -1.542\nH 0.051 0.450 -2.114\nH 0.599 -1.226 -1.634\n 14\nStep 5: E=-618.06987624\nC 0.000 0.000 0.000\nCl 3.388 -0.002 -0.018\nC -0.085 1.418 0.373\nH 0.597 2.029 -0.243\nH -1.106 1.742 0.067\nH 0.048 1.605 1.447\nC -0.082 -1.032 1.042\nH -1.111 -0.937 1.461\nH 0.063 -2.055 0.670\nH 0.586 -0.796 1.888\nC -0.086 -0.386 -1.414\nH -1.113 -0.802 -1.539\nH 0.051 0.449 -2.114\nH 0.586 -1.232 -1.637\n 14\nStep 6: E=-618.070198546\nC 0.000 0.000 0.000\nCl 3.361 -0.003 -0.018\nC -0.089 1.418 0.373\nH 0.583 2.034 -0.248\nH -1.116 1.735 0.077\nH 0.052 1.606 1.446\nC -0.086 -1.032 1.042\nH -1.119 -0.941 1.451\nH 0.064 -2.054 0.671\nH 0.574 -0.795 1.893\nC -0.091 -0.387 -1.414\nH -1.122 -0.792 -1.537\nH 0.053 0.447 -2.115\nH 0.573 -1.238 -1.639\n 14\nStep 7: E=-618.070534144\nC 0.000 0.000 0.000\nCl 3.333 -0.003 -0.018\nC -0.093 1.419 0.373\nH 0.570 2.039 -0.253\nH -1.125 1.728 0.087\nH 0.055 1.607 1.445\nC -0.090 -1.032 1.042\nH -1.127 -0.945 1.442\nH 0.066 -2.054 0.673\nH 0.562 -0.793 1.899\nC -0.095 -0.387 -1.415\nH -1.131 -0.781 -1.535\nH 0.054 0.446 -2.115\nH 0.560 -1.244 -1.640\n 14\nStep 8: E=-618.070882853\nC 0.000 0.000 0.000\nCl 3.306 -0.003 -0.018\nC -0.097 1.419 0.373\nH 0.557 2.043 -0.259\nH -1.134 1.721 0.097\nH 0.058 1.608 1.443\nC -0.094 -1.032 1.043\nH -1.135 -0.949 1.433\nH 0.068 -2.053 0.675\nH 0.550 -0.792 1.905\nC -0.100 -0.387 -1.415\nH -1.140 -0.770 -1.534\nH 0.056 0.444 -2.115\nH 0.547 -1.250 -1.642\n 14\nStep 9: E=-618.071245065\nC 0.000 0.000 0.000\nCl 3.279 -0.003 -0.017\nC -0.101 1.419 0.372\nH 0.543 2.048 -0.264\nH -1.143 1.714 0.106\nH 0.061 1.610 1.442\nC -0.098 -1.031 1.043\nH -1.143 -0.954 1.423\nH 0.071 -2.053 0.676\nH 0.538 -0.790 1.910\nC -0.104 -0.388 -1.415\nH -1.149 -0.759 -1.532\nH 0.058 0.442 -2.116\nH 0.534 -1.256 -1.643\n 14\nStep 10: E=-618.071622885\nC 0.000 0.000 0.000\nCl 3.252 -0.003 -0.017\nC -0.105 1.420 0.372\nH 0.530 2.052 -0.269\nH -1.151 1.707 0.116\nH 0.064 1.611 1.440\nC -0.102 -1.031 1.044\nH -1.151 -0.958 1.414\nH 0.072 -2.052 0.678\nH 0.527 -0.788 1.916\nC -0.109 -0.388 -1.415\nH -1.158 -0.748 -1.531\nH 0.061 0.440 -2.116\nH 0.521 -1.262 -1.644\n 14\nStep 11: E=-618.072016824\nC 0.000 0.000 0.000\nCl 3.225 -0.003 -0.017\nC -0.109 1.420 0.372\nH 0.517 2.056 -0.274\nH -1.160 1.700 0.126\nH 0.067 1.612 1.439\nC -0.106 -1.031 1.044\nH -1.159 -0.962 1.405\nH 0.074 -2.052 0.680\nH 0.515 -0.787 1.921\nC -0.113 -0.389 -1.415\nH -1.166 -0.736 -1.530\nH 0.063 0.438 -2.116\nH 0.508 -1.268 -1.645\n 14\nStep 12: E=-618.072427148\nC 0.000 0.000 0.000\nCl 3.197 -0.003 -0.017\nC -0.114 1.420 0.372\nH 0.503 2.060 -0.279\nH -1.169 1.693 0.136\nH 0.070 1.614 1.437\nC -0.110 -1.031 1.045\nH -1.167 -0.966 1.395\nH 0.076 -2.051 0.682\nH 0.503 -0.785 1.926\nC -0.118 -0.389 -1.415\nH -1.175 -0.725 -1.529\nH 0.065 0.436 -2.117\nH 0.495 -1.274 -1.646\n 14\nStep 13: E=-618.072854142\nC 0.000 0.000 0.000\nCl 3.170 -0.003 -0.016\nC -0.118 1.420 0.371\nH 0.489 2.064 -0.284\nH -1.178 1.686 0.146\nH 0.073 1.615 1.435\nC -0.115 -1.031 1.045\nH -1.174 -0.970 1.386\nH 0.078 -2.050 0.683\nH 0.491 -0.784 1.931\nC -0.122 -0.389 -1.415\nH -1.183 -0.714 -1.528\nH 0.067 0.434 -2.117\nH 0.482 -1.280 -1.648\n 14\nStep 14: E=-618.073297332\nC 0.000 0.000 0.000\nCl 3.142 -0.003 -0.016\nC -0.123 1.420 0.371\nH 0.475 2.069 -0.288\nH -1.186 1.679 0.157\nH 0.075 1.617 1.434\nC -0.119 -1.031 1.045\nH -1.182 -0.974 1.377\nH 0.079 -2.050 0.685\nH 0.479 -0.782 1.936\nC -0.127 -0.390 -1.415\nH -1.191 -0.703 -1.527\nH 0.069 0.432 -2.118\nH 0.468 -1.286 -1.649\n 14\nStep 15: E=-618.073757114\nC 0.000 0.000 0.000\nCl 3.115 -0.002 -0.016\nC -0.128 1.421 0.371\nH 0.460 2.073 -0.293\nH -1.195 1.671 0.167\nH 0.078 1.618 1.432\nC -0.124 -1.031 1.046\nH -1.190 -0.979 1.367\nH 0.081 -2.049 0.687\nH 0.466 -0.781 1.941\nC -0.132 -0.390 -1.415\nH -1.200 -0.692 -1.525\nH 0.071 0.429 -2.118\nH 0.455 -1.291 -1.650\n 14\nStep 16: E=-618.074234631\nC 0.000 0.000 0.000\nCl 3.087 -0.002 -0.016\nC -0.133 1.421 0.371\nH 0.445 2.077 -0.298\nH -1.204 1.664 0.177\nH 0.081 1.620 1.430\nC -0.129 -1.031 1.046\nH -1.198 -0.983 1.358\nH 0.082 -2.048 0.690\nH 0.453 -0.780 1.946\nC -0.138 -0.390 -1.415\nH -1.208 -0.680 -1.524\nH 0.072 0.427 -2.118\nH 0.441 -1.297 -1.651\n 14\nStep 17: E=-618.074730836\nC 0.000 0.000 0.000\nCl 3.059 -0.002 -0.015\nC -0.138 1.421 0.371\nH 0.431 2.081 -0.302\nH -1.212 1.657 0.188\nH 0.083 1.621 1.428\nC -0.134 -1.031 1.046\nH -1.206 -0.987 1.348\nH 0.083 -2.048 0.692\nH 0.440 -0.778 1.951\nC -0.143 -0.391 -1.415\nH -1.217 -0.668 -1.523\nH 0.074 0.425 -2.119\nH 0.427 -1.302 -1.652\n 14\nStep 18: E=-618.075246117\nC 0.000 0.000 0.000\nCl 3.031 -0.002 -0.015\nC -0.143 1.421 0.371\nH 0.417 2.084 -0.306\nH -1.221 1.650 0.198\nH 0.085 1.623 1.426\nC -0.139 -1.031 1.047\nH -1.214 -0.991 1.338\nH 0.084 -2.047 0.694\nH 0.427 -0.777 1.956\nC -0.148 -0.391 -1.415\nH -1.225 -0.657 -1.522\nH 0.076 0.422 -2.119\nH 0.413 -1.307 -1.653\n 14\nStep 19: E=-618.075780935\nC 0.000 0.000 0.000\nCl 3.003 -0.002 -0.015\nC -0.149 1.421 0.371\nH 0.402 2.088 -0.310\nH -1.229 1.643 0.207\nH 0.087 1.625 1.425\nC -0.145 -1.031 1.047\nH -1.223 -0.996 1.328\nH 0.085 -2.046 0.696\nH 0.413 -0.775 1.960\nC -0.154 -0.391 -1.415\nH -1.234 -0.646 -1.520\nH 0.077 0.420 -2.120\nH 0.399 -1.312 -1.654\n 14\nStep 20: E=-618.076336689\nC 0.000 0.000 0.000\nCl 2.975 -0.002 -0.015\nC -0.155 1.422 0.371\nH 0.388 2.091 -0.314\nH -1.237 1.636 0.217\nH 0.088 1.627 1.423\nC -0.150 -1.031 1.047\nH -1.231 -1.000 1.319\nH 0.086 -2.045 0.699\nH 0.400 -0.774 1.965\nC -0.160 -0.391 -1.415\nH -1.242 -0.635 -1.519\nH 0.077 0.417 -2.121\nH 0.384 -1.317 -1.655\n 14\nStep 21: E=-618.076914949\nC 0.000 0.000 0.000\nCl 2.946 -0.002 -0.015\nC -0.160 1.422 0.370\nH 0.374 2.095 -0.317\nH -1.246 1.629 0.226\nH 0.089 1.628 1.421\nC -0.156 -1.031 1.048\nH -1.239 -1.004 1.309\nH 0.086 -2.045 0.701\nH 0.386 -0.773 1.969\nC -0.166 -0.392 -1.415\nH -1.251 -0.624 -1.518\nH 0.078 0.415 -2.121\nH 0.370 -1.322 -1.656\n 14\nStep 22: E=-618.077516954\nC 0.000 0.000 0.000\nCl 2.918 -0.002 -0.014\nC -0.166 1.422 0.370\nH 0.360 2.098 -0.320\nH -1.254 1.623 0.234\nH 0.089 1.630 1.419\nC -0.162 -1.031 1.048\nH -1.248 -1.008 1.299\nH 0.086 -2.044 0.704\nH 0.372 -0.772 1.974\nC -0.172 -0.392 -1.416\nH -1.259 -0.614 -1.516\nH 0.077 0.412 -2.122\nH 0.357 -1.326 -1.657\n 14\nStep 23: E=-618.078143487\nC 0.000 0.000 0.000\nCl 2.889 -0.002 -0.014\nC -0.172 1.422 0.370\nH 0.346 2.101 -0.324\nH -1.262 1.616 0.243\nH 0.089 1.632 1.417\nC -0.169 -1.030 1.048\nH -1.256 -1.011 1.290\nH 0.086 -2.043 0.706\nH 0.358 -0.770 1.978\nC -0.178 -0.392 -1.416\nH -1.267 -0.605 -1.515\nH 0.077 0.410 -2.123\nH 0.343 -1.330 -1.658\n 14\nStep 24: E=-618.078795094\nC 0.000 0.000 0.000\nCl 2.860 -0.002 -0.014\nC -0.179 1.422 0.370\nH 0.331 2.104 -0.326\nH -1.270 1.610 0.250\nH 0.088 1.634 1.415\nC -0.175 -1.030 1.048\nH -1.265 -1.015 1.280\nH 0.085 -2.043 0.709\nH 0.345 -0.769 1.982\nC -0.184 -0.392 -1.416\nH -1.275 -0.595 -1.513\nH 0.076 0.407 -2.124\nH 0.330 -1.334 -1.659\n 14\nStep 25: E=-618.079471702\nC 0.000 0.000 0.000\nCl 2.831 -0.002 -0.014\nC -0.185 1.423 0.370\nH 0.318 2.106 -0.329\nH -1.279 1.604 0.258\nH 0.087 1.637 1.413\nC -0.182 -1.030 1.049\nH -1.273 -1.018 1.271\nH 0.084 -2.042 0.711\nH 0.331 -0.768 1.986\nC -0.191 -0.392 -1.416\nH -1.284 -0.586 -1.511\nH 0.074 0.405 -2.124\nH 0.316 -1.337 -1.660\n 14\nStep 26: E=-618.080175155\nC 0.000 0.000 0.000\nCl 2.802 -0.002 -0.014\nC -0.192 1.423 0.370\nH 0.304 2.109 -0.332\nH -1.287 1.598 0.265\nH 0.086 1.639 1.411\nC -0.189 -1.030 1.049\nH -1.282 -1.021 1.262\nH 0.082 -2.042 0.714\nH 0.317 -0.768 1.990\nC -0.198 -0.393 -1.416\nH -1.292 -0.578 -1.509\nH 0.072 0.402 -2.125\nH 0.303 -1.341 -1.661\n 14\nStep 27: E=-618.080906045\nC 0.000 0.000 0.000\nCl 2.772 -0.002 -0.014\nC -0.199 1.423 0.370\nH 0.290 2.112 -0.334\nH -1.296 1.591 0.271\nH 0.083 1.641 1.409\nC -0.196 -1.030 1.049\nH -1.291 -1.024 1.253\nH 0.079 -2.041 0.717\nH 0.302 -0.767 1.993\nC -0.205 -0.393 -1.416\nH -1.301 -0.569 -1.507\nH 0.070 0.400 -2.126\nH 0.289 -1.344 -1.662\n 14\nStep 28: E=-618.08166616\nC 0.000 0.000 0.000\nCl 2.743 -0.001 -0.013\nC -0.207 1.423 0.370\nH 0.276 2.114 -0.336\nH -1.304 1.585 0.278\nH 0.081 1.643 1.408\nC -0.204 -1.030 1.049\nH -1.300 -1.026 1.245\nH 0.076 -2.041 0.720\nH 0.288 -0.766 1.997\nC -0.212 -0.393 -1.416\nH -1.309 -0.561 -1.505\nH 0.067 0.397 -2.127\nH 0.275 -1.347 -1.663\n 14\nStep 29: E=-618.082456413\nC 0.000 0.000 0.000\nCl 2.713 -0.001 -0.013\nC -0.214 1.423 0.370\nH 0.262 2.117 -0.338\nH -1.313 1.579 0.284\nH 0.077 1.645 1.406\nC -0.211 -1.030 1.049\nH -1.309 -1.028 1.236\nH 0.073 -2.041 0.722\nH 0.274 -0.766 2.000\nC -0.220 -0.393 -1.416\nH -1.318 -0.553 -1.502\nH 0.063 0.395 -2.128\nH 0.261 -1.350 -1.665\n 14\nStep 30: E=-618.083276908\nC 0.000 0.000 0.000\nCl 2.683 -0.001 -0.013\nC -0.222 1.423 0.370\nH 0.248 2.119 -0.340\nH -1.322 1.573 0.289\nH 0.073 1.648 1.404\nC -0.220 -1.030 1.049\nH -1.318 -1.030 1.228\nH 0.069 -2.040 0.725\nH 0.259 -0.765 2.003\nC -0.228 -0.393 -1.416\nH -1.328 -0.545 -1.499\nH 0.059 0.392 -2.129\nH 0.246 -1.353 -1.666\n 14\nStep 31: E=-618.084128931\nC 0.000 0.000 0.000\nCl 2.653 -0.001 -0.013\nC -0.231 1.423 0.369\nH 0.233 2.122 -0.342\nH -1.331 1.567 0.295\nH 0.069 1.650 1.403\nC -0.228 -1.030 1.050\nH -1.327 -1.031 1.220\nH 0.065 -2.040 0.728\nH 0.245 -0.765 2.007\nC -0.237 -0.393 -1.416\nH -1.337 -0.537 -1.496\nH 0.055 0.390 -2.131\nH 0.232 -1.356 -1.667\n 14\nStep 32: E=-618.085013659\nC 0.000 0.000 0.000\nCl 2.622 -0.001 -0.013\nC -0.239 1.423 0.369\nH 0.219 2.124 -0.344\nH -1.341 1.560 0.300\nH 0.064 1.652 1.401\nC -0.236 -1.030 1.050\nH -1.337 -1.032 1.212\nH 0.060 -2.040 0.731\nH 0.230 -0.765 2.010\nC -0.245 -0.393 -1.416\nH -1.347 -0.529 -1.493\nH 0.050 0.387 -2.132\nH 0.217 -1.358 -1.668\n 14\nStep 33: E=-618.085931668\nC 0.000 0.000 0.000\nCl 2.591 -0.001 -0.013\nC -0.248 1.423 0.369\nH 0.205 2.126 -0.345\nH -1.350 1.554 0.304\nH 0.059 1.655 1.400\nC -0.245 -1.030 1.050\nH -1.346 -1.033 1.204\nH 0.054 -2.040 0.734\nH 0.216 -0.765 2.012\nC -0.254 -0.393 -1.416\nH -1.356 -0.521 -1.490\nH 0.044 0.385 -2.133\nH 0.202 -1.361 -1.670\n 14\nStep 34: E=-618.086883337\nC 0.000 0.000 0.000\nCl 2.561 -0.001 -0.012\nC -0.257 1.423 0.369\nH 0.190 2.128 -0.347\nH -1.360 1.548 0.309\nH 0.053 1.657 1.398\nC -0.254 -1.030 1.050\nH -1.356 -1.034 1.196\nH 0.049 -2.040 0.736\nH 0.201 -0.765 2.015\nC -0.263 -0.393 -1.415\nH -1.366 -0.514 -1.487\nH 0.038 0.383 -2.134\nH 0.187 -1.363 -1.671\n 14\nStep 35: E=-618.087868333\nC 0.000 0.000 0.000\nCl 2.530 -0.001 -0.012\nC -0.266 1.423 0.369\nH 0.176 2.131 -0.348\nH -1.369 1.541 0.313\nH 0.047 1.660 1.397\nC -0.263 -1.030 1.050\nH -1.366 -1.034 1.189\nH 0.042 -2.039 0.739\nH 0.187 -0.765 2.018\nC -0.273 -0.393 -1.415\nH -1.376 -0.507 -1.483\nH 0.032 0.380 -2.135\nH 0.173 -1.366 -1.672\n 14\nStep 36: E=-618.088886133\nC 0.000 0.000 0.000\nCl 2.499 -0.001 -0.012\nC -0.275 1.423 0.369\nH 0.161 2.133 -0.349\nH -1.379 1.535 0.317\nH 0.040 1.662 1.395\nC -0.272 -1.030 1.050\nH -1.375 -1.034 1.182\nH 0.036 -2.039 0.742\nH 0.172 -0.765 2.020\nC -0.282 -0.393 -1.415\nH -1.386 -0.501 -1.479\nH 0.025 0.378 -2.137\nH 0.158 -1.368 -1.674\n 14\nStep 37: E=-618.089935208\nC 0.000 0.000 0.000\nCl 2.468 -0.001 -0.012\nC -0.284 1.423 0.369\nH 0.147 2.135 -0.350\nH -1.389 1.529 0.320\nH 0.033 1.664 1.394\nC -0.282 -1.029 1.050\nH -1.386 -1.034 1.174\nH 0.029 -2.040 0.745\nH 0.158 -0.765 2.023\nC -0.292 -0.393 -1.415\nH -1.396 -0.494 -1.476\nH 0.018 0.376 -2.138\nH 0.143 -1.370 -1.675\n 14\nStep 38: E=-618.091013401\nC 0.000 0.000 0.000\nCl 2.436 -0.001 -0.012\nC -0.294 1.423 0.369\nH 0.132 2.137 -0.351\nH -1.399 1.523 0.324\nH 0.026 1.667 1.393\nC -0.291 -1.029 1.050\nH -1.396 -1.034 1.167\nH 0.021 -2.040 0.747\nH 0.143 -0.765 2.025\nC -0.301 -0.393 -1.415\nH -1.406 -0.488 -1.472\nH 0.011 0.373 -2.139\nH 0.128 -1.372 -1.676\n 14\nStep 39: E=-618.092118584\nC 0.000 0.000 0.000\nCl 2.405 -0.001 -0.011\nC -0.304 1.423 0.369\nH 0.118 2.139 -0.352\nH -1.409 1.517 0.327\nH 0.018 1.669 1.392\nC -0.301 -1.029 1.050\nH -1.406 -1.034 1.161\nH 0.013 -2.040 0.750\nH 0.129 -0.765 2.027\nC -0.311 -0.393 -1.414\nH -1.417 -0.482 -1.468\nH 0.003 0.371 -2.141\nH 0.113 -1.373 -1.677\n 14\nStep 40: E=-618.093248212\nC 0.000 0.000 0.000\nCl 2.373 -0.001 -0.011\nC -0.314 1.422 0.369\nH 0.103 2.141 -0.352\nH -1.420 1.510 0.330\nH 0.010 1.671 1.391\nC -0.311 -1.029 1.050\nH -1.416 -1.033 1.154\nH 0.005 -2.040 0.752\nH 0.114 -0.766 2.029\nC -0.321 -0.393 -1.414\nH -1.427 -0.476 -1.464\nH -0.005 0.369 -2.142\nH 0.098 -1.375 -1.679\n 14\nStep 41: E=-618.094401409\nC 0.000 0.000 0.000\nCl 2.342 -0.001 -0.011\nC -0.324 1.422 0.369\nH 0.089 2.143 -0.353\nH -1.430 1.504 0.332\nH 0.001 1.673 1.389\nC -0.321 -1.029 1.049\nH -1.427 -1.032 1.147\nH -0.004 -2.040 0.755\nH 0.100 -0.766 2.031\nC -0.331 -0.393 -1.414\nH -1.437 -0.470 -1.460\nH -0.013 0.367 -2.144\nH 0.083 -1.377 -1.680\n 14\nStep 42: E=-618.095576907\nC 0.000 0.000 0.000\nCl 2.310 -0.001 -0.011\nC -0.334 1.422 0.369\nH 0.074 2.144 -0.353\nH -1.440 1.498 0.334\nH -0.008 1.676 1.388\nC -0.332 -1.028 1.049\nH -1.437 -1.031 1.141\nH -0.012 -2.040 0.757\nH 0.085 -0.766 2.033\nC -0.342 -0.393 -1.413\nH -1.448 -0.465 -1.456\nH -0.022 0.365 -2.145\nH 0.068 -1.378 -1.681\n 14\nStep 43: E=-618.096772646\nC 0.000 0.000 0.000\nCl 2.278 -0.001 -0.011\nC -0.345 1.421 0.369\nH 0.060 2.146 -0.354\nH -1.451 1.492 0.336\nH -0.017 1.678 1.387\nC -0.342 -1.028 1.049\nH -1.448 -1.030 1.135\nH -0.022 -2.041 0.760\nH 0.070 -0.767 2.035\nC -0.352 -0.393 -1.413\nH -1.458 -0.459 -1.452\nH -0.031 0.363 -2.146\nH 0.054 -1.379 -1.682\n 14\nStep 44: E=-618.097984044\nC 0.000 0.000 0.000\nCl 2.247 -0.001 -0.011\nC -0.355 1.421 0.369\nH 0.045 2.148 -0.354\nH -1.461 1.486 0.338\nH -0.026 1.680 1.387\nC -0.353 -1.028 1.049\nH -1.458 -1.029 1.128\nH -0.031 -2.041 0.762\nH 0.056 -0.767 2.037\nC -0.363 -0.392 -1.413\nH -1.469 -0.454 -1.447\nH -0.040 0.360 -2.148\nH 0.039 -1.381 -1.683\n 14\nStep 45: E=-618.099202261\nC 0.000 0.000 0.000\nCl 2.215 -0.001 -0.010\nC -0.365 1.420 0.369\nH 0.031 2.149 -0.355\nH -1.472 1.480 0.340\nH -0.035 1.682 1.386\nC -0.363 -1.028 1.048\nH -1.469 -1.027 1.122\nH -0.040 -2.041 0.764\nH 0.042 -0.767 2.038\nC -0.373 -0.392 -1.412\nH -1.479 -0.450 -1.443\nH -0.050 0.358 -2.149\nH 0.024 -1.382 -1.684\n 14\nStep 46: E=-618.100416689\nC 0.000 0.000 0.000\nCl 2.183 -0.001 -0.010\nC -0.376 1.420 0.368\nH 0.017 2.151 -0.355\nH -1.482 1.475 0.342\nH -0.045 1.684 1.385\nC -0.373 -1.027 1.048\nH -1.479 -1.026 1.116\nH -0.049 -2.041 0.767\nH 0.028 -0.768 2.040\nC -0.383 -0.392 -1.411\nH -1.490 -0.445 -1.439\nH -0.059 0.357 -2.150\nH 0.010 -1.383 -1.685\n 14\nStep 47: E=-618.101613841\nC 0.000 0.000 0.000\nCl 2.151 -0.001 -0.010\nC -0.386 1.419 0.368\nH 0.003 2.152 -0.356\nH -1.492 1.469 0.344\nH -0.054 1.686 1.384\nC -0.383 -1.027 1.048\nH -1.489 -1.025 1.111\nH -0.058 -2.041 0.769\nH 0.014 -0.768 2.041\nC -0.394 -0.392 -1.411\nH -1.500 -0.441 -1.435\nH -0.068 0.355 -2.152\nH -0.004 -1.384 -1.685\n 14\nStep 48: E=-618.102778091\nC 0.000 0.000 0.000\nCl 2.120 -0.001 -0.010\nC -0.395 1.419 0.368\nH -0.010 2.153 -0.356\nH -1.501 1.464 0.345\nH -0.063 1.688 1.383\nC -0.393 -1.027 1.047\nH -1.499 -1.024 1.105\nH -0.067 -2.041 0.771\nH 0.001 -0.768 2.043\nC -0.403 -0.392 -1.410\nH -1.509 -0.436 -1.431\nH -0.077 0.353 -2.153\nH -0.017 -1.385 -1.686\n 14\nStep 49: E=-618.103889577\nC 0.000 0.000 0.000\nCl 2.089 -0.001 -0.010\nC -0.405 1.418 0.368\nH -0.023 2.154 -0.356\nH -1.511 1.458 0.347\nH -0.071 1.690 1.382\nC -0.402 -1.026 1.047\nH -1.508 -1.023 1.100\nH -0.075 -2.041 0.773\nH -0.012 -0.768 2.044\nC -0.413 -0.392 -1.410\nH -1.519 -0.432 -1.427\nH -0.085 0.351 -2.154\nH -0.030 -1.386 -1.687\n 14\nStep 50: E=-618.104926103\nC 0.000 0.000 0.000\nCl 2.058 -0.001 -0.010\nC -0.413 1.418 0.368\nH -0.035 2.155 -0.357\nH -1.519 1.454 0.349\nH -0.078 1.691 1.381\nC -0.411 -1.026 1.047\nH -1.516 -1.022 1.095\nH -0.082 -2.041 0.775\nH -0.024 -0.768 2.045\nC -0.422 -0.391 -1.409\nH -1.527 -0.428 -1.424\nH -0.093 0.349 -2.155\nH -0.042 -1.387 -1.687\n 14\nStep 51: E=-618.105863572\nC 0.000 0.000 0.000\nCl 2.028 -0.001 -0.009\nC -0.421 1.417 0.368\nH -0.046 2.156 -0.358\nH -1.527 1.450 0.351\nH -0.084 1.693 1.380\nC -0.419 -1.025 1.046\nH -1.524 -1.022 1.091\nH -0.089 -2.041 0.777\nH -0.035 -0.768 2.046\nC -0.430 -0.391 -1.408\nH -1.535 -0.424 -1.421\nH -0.099 0.347 -2.156\nH -0.054 -1.389 -1.687\n 14\nStep 52: E=-618.106676147\nC 0.000 0.000 0.000\nCl 1.999 -0.001 -0.009\nC -0.428 1.417 0.368\nH -0.055 2.156 -0.359\nH -1.533 1.447 0.354\nH -0.089 1.695 1.379\nC -0.425 -1.025 1.046\nH -1.531 -1.023 1.087\nH -0.093 -2.041 0.779\nH -0.045 -0.767 2.047\nC -0.436 -0.391 -1.408\nH -1.542 -0.421 -1.420\nH -0.104 0.346 -2.156\nH -0.063 -1.390 -1.687\n 14\nStep 53: E=-618.107336909\nC 0.000 0.000 0.000\nCl 1.970 -0.001 -0.009\nC -0.433 1.416 0.368\nH -0.063 2.156 -0.360\nH -1.538 1.445 0.357\nH -0.091 1.696 1.378\nC -0.431 -1.025 1.046\nH -1.536 -1.025 1.083\nH -0.095 -2.041 0.781\nH -0.052 -0.766 2.048\nC -0.442 -0.391 -1.408\nH -1.547 -0.417 -1.419\nH -0.106 0.344 -2.157\nH -0.071 -1.391 -1.686\n 14\nStep 54: E=-618.107820296\nC 0.000 0.000 0.000\nCl 1.944 -0.001 -0.009\nC -0.436 1.417 0.368\nH -0.067 2.156 -0.361\nH -1.541 1.445 0.361\nH -0.090 1.697 1.376\nC -0.433 -1.025 1.046\nH -1.538 -1.029 1.081\nH -0.093 -2.040 0.783\nH -0.057 -0.764 2.048\nC -0.444 -0.391 -1.408\nH -1.550 -0.413 -1.422\nH -0.104 0.342 -2.157\nH -0.076 -1.392 -1.685\n 14\nStep 55: E=-618.108104081\nC 0.000 0.000 0.000\nCl 1.920 -0.000 -0.009\nC -0.436 1.417 0.369\nH -0.069 2.155 -0.363\nH -1.541 1.448 0.368\nH -0.083 1.699 1.374\nC -0.433 -1.026 1.046\nH -1.538 -1.036 1.080\nH -0.086 -2.039 0.785\nH -0.059 -0.762 2.049\nC -0.444 -0.391 -1.408\nH -1.550 -0.409 -1.428\nH -0.097 0.339 -2.158\nH -0.078 -1.394 -1.683\n`;
viewer.addModelsAsFrames(xyz, "xyz");
viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
viewer.zoomTo({x: 0, y: 0, z: 0});
viewer.zoom(1.6);
viewer.setBackgroundColor('#f9f9f9');
viewer.rotate(0, {x: 0, y: 1, z: 0});
viewer.setViewStyle({style: 'outline', color: 'black', width: 0.02});
$("#D0406").css("position", "relative");
// Dynamically set the max slider value based on the number of frames
var frameCount = viewer.getModel().getNumFrames();
$('#D0406_slider').attr('max', frameCount - 1);
function updateFrame(sliderValue) {
viewer.setFrame(parseInt(sliderValue));
viewer.render();
}
$('#D0406_slider').on('input', function() {
updateFrame(this.value);
});
updateFrame("0");
});
adjustSquares();
})();
</script>