1-Phenylpropargyl / FC simulation ion ground state<BR>E I<BR>7.114 0.0<BR>7.115 0.0<BR>7.116 0.0<BR>7.117 0.0<BR>7.118 0.0<BR>7.119 0.0<BR>7.12 0.0<BR>7.121 0.0<BR>7.122 0.0<BR>7.123 0.0<BR>7.124 0.0<BR>7.125 0.0<BR>7.126 0.0<BR>7.127 0.0<BR>7.128 0.0<BR>7.129 0.0<BR>7.13 0.0<BR>7.131 0.0<BR>7.132 0.0<BR>7.133 0.0<BR>7.134 0.0<BR>7.135 0.0<BR>7.136 0.0<BR>7.137 0.0<BR>7.138 0.0<BR>7.139 0.0<BR>7.14 0.0<BR>7.141 0.0<BR>7.142 0.0<BR>7.143 0.0<BR>7.144 0.0<BR>7.145 0.0<BR>7.146 0.0<BR>7.147 0.0<BR>7.148 0.0<BR>7.149 0.0<BR>7.15 0.0<BR>7.151 0.0<BR>7.152 0.0<BR>7.153 0.0<BR>7.154 0.0<BR>7.155 0.0<BR>7.156 0.0<BR>7.157 0.0<BR>7.158 0.0<BR>7.159 0.0<BR>7.16 0.0<BR>7.161 0.0<BR>7.162 0.0<BR>7.163 0.01<BR>7.164 0.01<BR>7.165 0.01<BR>7.166 0.02<BR>7.167 0.02<BR>7.168 0.03<BR>7.169 0.04<BR>7.17 0.06<BR>7.171 0.08<BR>7.172 0.11<BR>7.173 0.14<BR>7.174 0.18<BR>7.175 0.24<BR>7.176 0.32<BR>7.177 0.41<BR>7.178 0.54<BR>7.179 0.69<BR>7.18 0.89<BR>7.181 1.15<BR>7.182 1.46<BR>7.183 1.85<BR>7.184 2.34<BR>7.185 2.94<BR>7.186 3.68<BR>7.187 4.58<BR>7.188 5.68<BR>7.189 7.01<BR>7.19 8.62<BR>7.191 10.55<BR>7.192 12.85<BR>7.193 15.57<BR>7.194 18.8<BR>7.195 22.6<BR>7.196 27.02<BR>7.197 32.19<BR>7.198 38.15<BR>7.199 45.04<BR>7.2 52.93<BR>7.201 61.84<BR>7.202 72.02<BR>7.203 83.5<BR>7.204 96.37<BR>7.205 110.73<BR>7.206 126.52<BR>7.207 144.08<BR>7.208 163.34<BR>7.209 184.26<BR>7.21 207.01<BR>7.211 231.41<BR>7.212 257.68<BR>7.213 285.65<BR>7.214 315.03<BR>7.215 346.1<BR>7.216 378.48<BR>7.217 412.15<BR>7.218 446.81<BR>7.219 482.21<BR>7.22 517.79<BR>7.221 553.93<BR>7.222 589.97<BR>7.223 625.47<BR>7.224 660.29<BR>7.225 693.81<BR>7.226 726.08<BR>7.227 756.53<BR>7.228 784.66<BR>7.229 810.48<BR>7.23 833.48<BR>7.231 853.52<BR>7.232 870.3<BR>7.233 883.5<BR>7.234 893.24<BR>7.235 899.28<BR>7.236 901.55<BR>7.237 900.08<BR>7.238 894.95<BR>7.239 886.18<BR>7.24 873.94<BR>7.241 858.51<BR>7.242 839.97<BR>7.243 818.73<BR>7.244 794.91<BR>7.245 768.92<BR>7.246 741.32<BR>7.247 712.04<BR>7.248 681.66<BR>7.249 650.47<BR>7.25 618.9<BR>7.251 587.54<BR>7.252 556.14<BR>7.253 525.33<BR>7.254 495.39<BR>7.255 466.72<BR>7.256 439.33<BR>7.257 413.67<BR>7.258 389.64<BR>7.259 367.56<BR>7.26 347.69<BR>7.261 329.84<BR>7.262 314.24<BR>7.263 300.87<BR>7.264 289.77<BR>7.265 281.02<BR>7.266 274.38<BR>7.267 269.89<BR>7.268 267.47<BR>7.269 266.99<BR>7.27 268.33<BR>7.271 271.34<BR>7.272 275.88<BR>7.273 281.73<BR>7.274 288.77<BR>7.275 296.76<BR>7.276 305.55<BR>7.277 314.92<BR>7.278 324.58<BR>7.279 334.49<BR>7.28 344.38<BR>7.281 354.07<BR>7.282 363.37<BR>7.283 372.06<BR>7.284 380.12<BR>7.285 387.36<BR>7.286 393.65<BR>7.287 398.87<BR>7.288 402.99<BR>7.289 405.93<BR>7.29 407.67<BR>7.291 408.19<BR>7.292 407.51<BR>7.293 405.63<BR>7.294 402.6<BR>7.295 398.48<BR>7.296 393.34<BR>7.297 387.32<BR>7.298 380.4<BR>7.299 372.73<BR>7.3 364.44<BR>7.301 355.58<BR>7.302 346.34<BR>7.303 336.7<BR>7.304 326.82<BR>7.305 316.85<BR>7.306 306.76<BR>7.307 296.71<BR>7.308 286.72<BR>7.309 276.88<BR>7.31 267.33<BR>7.311 257.96<BR>7.312 248.87<BR>7.313 240.11<BR>7.314 231.71<BR>7.315 223.73<BR>7.316 216.07<BR>7.317 208.81<BR>7.318 201.98<BR>7.319 195.53<BR>7.32 189.49<BR>7.321 183.86<BR>7.322 178.6<BR>7.323 173.72<BR>7.324 169.26<BR>7.325 165.12<BR>7.326 161.33<BR>7.327 157.87<BR>7.328 154.72<BR>7.329 151.89<BR>7.33 149.31<BR>7.331 146.98<BR>7.332 144.89<BR>7.333 143.0<BR>7.334 141.3<BR>7.335 139.76<BR>7.336 138.36<BR>7.337 137.08<BR>7.338 135.89<BR>7.339 134.78<BR>7.34 133.72<BR>7.341 132.71<BR>7.342 131.74<BR>7.343 130.77<BR>7.344 129.81<BR>7.345 128.86<BR>7.346 127.9<BR>7.347 126.94<BR>7.348 125.96<BR>7.349 124.97<BR>7.35 123.98<BR>7.351 122.98<BR>7.352 121.99<BR>7.353 120.99<BR>7.354 120.0<BR>7.355 119.02<BR>7.356 118.05<BR>7.357 117.1<BR>7.358 116.15<BR>7.359 115.23<BR>7.36 114.32<BR>7.361 113.43<BR>7.362 112.54<BR>7.363 111.67<BR>7.364 110.8<BR>7.365 109.94<BR>7.366 109.07<BR>7.367 108.2<BR>7.368 107.32<BR>7.369 106.43<BR>7.37 105.51<BR>7.371 104.58<BR>7.372 103.62<BR>7.373 102.64<BR>7.374 101.63<BR>7.375 100.59<BR>7.376 99.52<BR>7.377 98.43<BR>7.378 97.3<BR>7.379 96.15<BR>7.38 94.97<BR>7.381 93.77<BR>7.382 92.55<BR>7.383 91.32<BR>7.384 90.07<BR>7.385 88.81<BR>7.386 87.54<BR>7.387 86.28<BR>7.388 85.04<BR>7.389 83.8<BR>7.39 82.58<BR>7.391 81.39<BR>7.392 80.23<BR>7.393 79.13<BR>7.394 78.07<BR>7.395 77.08<BR>7.396 76.16<BR>7.397 75.32<BR>7.398 74.57<BR>7.399 73.92<BR>7.4 73.38<BR>7.401 72.96<BR>7.402 72.67<BR>7.403 72.5<BR>7.404 72.48<BR>7.405 72.6<BR>7.406 72.87<BR>7.407 73.3<BR>7.408 73.87<BR>7.409 74.59<BR>7.41 75.47<BR>7.411 76.48<BR>7.412 77.63<BR>7.413 78.9<BR>7.414 80.28<BR>7.415 81.78<BR>7.416 83.35<BR>7.417 85.0<BR>7.418 86.7<BR>7.419 88.44<BR>7.42 90.16<BR>7.421 91.9<BR>7.422 93.6<BR>7.423 95.23<BR>7.424 96.8<BR>7.425 98.25<BR>7.426 99.59<BR>7.427 100.79<BR>7.428 101.82<BR>7.429 102.67<BR>7.43 103.33<BR>7.431 103.78<BR>7.432 104.02<BR>7.433 104.02<BR>7.434 103.8<BR>7.435 103.35<BR>7.436 102.66<BR>7.437 101.75<BR>7.438 100.62<BR>7.439 99.28<BR>7.44 97.74<BR>7.441 96.03<BR>7.442 94.15<BR>7.443 92.13<BR>7.444 89.98<BR>7.445 87.73<BR>7.446 85.43<BR>7.447 83.05<BR>7.448 80.65<BR>7.449 78.23<BR>7.45 75.84<BR>7.451 73.5<BR>7.452 71.2<BR>7.453 68.98<BR>7.454 66.85<BR>7.455 64.85<BR>7.456 62.96<BR>7.457 61.21<BR>7.458 59.6<BR>7.459 58.14<BR>7.46 56.84<BR>7.461 55.69<BR>7.462 54.7<BR>7.463 53.86<BR>7.464 53.16<BR>7.465 52.61<BR>7.466 52.19<BR>7.467 51.9<BR>7.468 51.72<BR>7.469 51.64<BR>7.47 51.65<BR>7.471 51.74<BR>7.472 51.89<BR>7.473 52.09<BR>7.474 52.33<BR>7.475 52.58<BR>7.476 52.84<BR>7.477 53.1<BR>7.478 53.33<BR>7.479 53.54<BR>7.48 53.71<BR>7.481 53.82<BR>7.482 53.88<BR>7.483 53.86<BR>7.484 53.78<BR>7.485 53.62<BR>7.486 53.37<BR>7.487 53.04<BR>7.488 52.63<BR>7.489 52.14<BR>7.49 51.56<BR>7.491 50.91<BR>7.492 50.19<BR>7.493 49.39<BR>7.494 48.54<BR>7.495 47.62<BR>7.496 46.66<BR>7.497 45.67<BR>7.498 44.64<BR>7.499 43.59<BR>7.5 42.52<BR>7.501 41.45<BR>7.502 40.38<BR>7.503 39.32<BR>7.504 38.26<BR>7.505 37.24<BR>7.506 36.24<BR>7.507 35.27<BR>7.508 34.33<BR>7.509 33.43<BR>7.51 32.58<BR>7.511 31.77<BR>7.512 31.0<BR>7.513 30.27<BR>7.514 29.59<BR>7.515 28.96<BR>7.516 28.36<BR>7.517 27.8<BR>7.518 27.29<BR>7.519 26.8<BR>7.52 26.36<BR>7.521 25.94<BR>7.522 25.55<BR>7.523 25.19<BR>7.524 24.85<BR>7.525 24.53<BR>7.526 24.23<BR>7.527 23.94<BR>7.528 23.66<BR>7.529 23.39<BR>7.53 23.14<BR>7.531 22.88<BR>7.532 22.63<BR>7.533 22.38<BR>7.534 22.14<BR>7.535 21.89<BR>7.536 21.64<BR>7.537 21.38<BR>7.538 21.13<BR>7.539 20.86<BR>7.54 20.6<BR>7.541 20.33<BR>7.542 20.05<BR>7.543 19.78<BR>7.544 19.49<BR>7.545 19.21<BR>7.546 18.92<BR>7.547 18.63<BR>7.548 18.35<BR>7.549 18.06<BR>7.55 17.77<BR>7.551 17.49<BR>7.552 17.21<BR>7.553 16.94<BR>7.554 16.68<BR>7.555 16.42<BR>7.556 16.17<BR>7.557 15.93<BR>7.558 15.7<BR>7.559 15.48<BR>7.56 15.27<BR>7.561 15.07<BR>7.562 14.87<BR>7.563 14.69<BR>7.564 14.52<BR>7.565 14.36<BR>7.566 14.2<BR>7.567 14.05<BR>7.568 13.91<BR>7.569 13.78<BR>7.57 13.64<BR>7.571 13.52<BR>7.572 13.39<BR>7.573 13.27<BR>7.574 13.15<BR>7.575 13.03<BR>7.576 12.9<BR>7.577 12.78<BR>7.578 12.66<BR>7.579 12.53<BR>7.58 12.4<BR>7.581 12.27<BR>7.582 12.14<BR>7.583 12.01<BR>7.584 11.87<BR>7.585 11.73<BR>7.586 11.59<BR>7.587 11.45<BR>7.588 11.31<BR>7.589 11.17<BR>7.59 11.03<BR>7.591 10.9<BR>7.592 10.77<BR>7.593 10.64<BR>7.594 10.51<BR>7.595 10.39<BR>7.596 10.28<BR>7.597 10.17<BR>7.598 10.07<BR>7.599 9.98<BR>7.6 9.9<BR>7.601 9.83<BR>7.602 9.77<BR>7.603 9.72<BR>7.604 9.67<BR>7.605 9.64<BR>7.606 9.62<BR>7.607 9.61<BR>7.608 9.61<BR>7.609 9.62<BR>7.61 9.63<BR>7.611 9.66<BR>7.612 9.69<BR>7.613 9.72<BR>7.614 9.76<BR>7.615 9.81<BR>7.616 9.85<BR>7.617 9.9<BR>7.618 9.94<BR>7.619 9.99<BR>7.62 10.03<BR>7.621 10.06<BR>7.622 10.09<BR>7.623 10.11<BR>7.624 10.12<BR>7.625 10.12<BR>7.626 10.11<BR>7.627 10.08<BR>7.628 10.05<BR>7.629 10.0<BR>7.63 9.94<BR>7.631 9.87<BR>7.632 9.79<BR>7.633 9.69<BR>7.634 9.59<BR>7.635 9.47<BR>7.636 9.35<BR>7.637 9.22<BR>7.638 9.08<BR>7.639 8.93<BR>7.64 8.78<BR>7.641 8.63<BR>7.642 8.48<BR>7.643 8.33<BR>7.644 8.17<BR>7.645 8.02<BR>7.646 7.88<BR>7.647 7.74<BR>7.648 7.6<BR>7.649 7.47<BR>7.65 7.35<BR>7.651 7.23<BR>7.652 7.12<BR>7.653 7.02<BR>7.654 6.92<BR>7.655 6.83<BR>7.656 6.75<BR>7.657 6.68<BR>7.658 6.61<BR>7.659 6.54<BR>7.66 6.48<BR>7.661 6.42<BR>7.662 6.37<BR>7.663 6.32<BR>7.664 6.27<BR>7.665 6.22<BR>7.666 6.17<BR>7.667 6.12<BR>7.668 6.07<BR>7.669 6.02<BR>7.67 5.96<BR>7.671 5.9<BR>7.672 5.84<BR>7.673 5.78<BR>7.674 5.71<BR>7.675 5.64<BR>7.676 5.57<BR>7.677 5.49<BR>7.678 5.4<BR>7.679 5.32<BR>7.68 5.22<BR>7.681 5.13<BR>7.682 5.03<BR>7.683 4.93<BR>7.684 4.83<BR>7.685 4.72<BR>7.686 4.61<BR>7.687 4.5<BR>7.688 4.39<BR>7.689 4.28<BR>7.69 4.17<BR>7.691 4.06<BR>7.692 3.95<BR>7.693 3.84<BR>7.694 3.74<BR>7.695 3.63<BR>7.696 3.53<BR>7.697 3.43<BR>7.698 3.34<BR>7.699 3.24<BR>7.7 3.16<BR>7.701 3.07<BR>7.702 2.99<BR>7.703 2.91<BR>7.704 2.84<BR>7.705 2.78<BR>7.706 2.71<BR>7.707 2.65<BR>7.708 2.6<BR>7.709 2.55<BR>7.71 2.51<BR>7.711 2.47<BR>7.712 2.43<BR>7.713 2.4<BR>7.714 2.38<BR>7.715 2.36<BR>7.716 2.34<BR>7.717 2.33<BR>7.718 2.33<BR>7.719 2.33<BR>7.72 2.34<BR>7.721 2.35<BR>7.722 2.36<BR>7.723 2.39<BR>7.724 2.41<BR>7.725 2.44<BR>7.726 2.48<BR>7.727 2.52<BR>7.728 2.57<BR>7.729 2.62<BR>7.73 2.67<BR>7.731 2.72<BR>7.732 2.78<BR>7.733 2.84<BR>7.734 2.89<BR>7.735 2.95<BR>7.736 3.01<BR>7.737 3.06<BR>7.738 3.11<BR>7.739 3.15<BR>7.74 3.2<BR>7.741 3.23<BR>7.742 3.26<BR>7.743 3.28<BR>7.744 3.3<BR>7.745 3.3<BR>7.746 3.3<BR>7.747 3.3<BR>7.748 3.28<BR>7.749 3.25<BR>7.75 3.22<BR>7.751 3.18<BR>7.752 3.13<BR>7.753 3.07<BR>7.754 3.01<BR>7.755 2.94<BR>7.756 2.87<BR>7.757 2.8<BR>7.758 2.72<BR>7.759 2.63<BR>7.76 2.55<BR>7.761 2.46<BR>7.762 2.38<BR>7.763 2.29<BR>7.764 2.2<BR>7.765 2.12<BR>7.766 2.04<BR>7.767 1.96<BR>7.768 1.88<BR>7.769 1.81<BR>7.77 1.74<BR>7.771 1.68<BR>7.772 1.62<BR>7.773 1.56<BR>7.774 1.51<BR>7.775 1.46<BR>7.776 1.42<BR>7.777 1.39<BR>7.778 1.35<BR>7.779 1.32<BR>7.78 1.3<BR>7.781 1.28<BR>7.782 1.26<BR>7.783 1.25<BR>7.784 1.24<BR>7.785 1.23<BR>7.786 1.23<BR>7.787 1.23<BR>7.788 1.23<BR>7.789 1.23<BR>7.79 1.23<BR>7.791 1.23<BR>7.792 1.24<BR>7.793 1.24<BR>7.794 1.24<BR>7.795 1.24<BR>7.796 1.24<BR>7.797 1.24<BR>7.798 1.23<BR>7.799 1.23<BR>7.8 1.22<BR>7.801 1.21<BR>7.802 1.2<BR>7.803 1.19<BR>7.804 1.17<BR>7.805 1.15<BR>7.806 1.13<BR>7.807 1.11<BR>7.808 1.09<BR>7.809 1.06<BR>7.81 1.04<BR>7.811 1.01<BR>7.812 0.98<BR>7.813 0.95<BR>7.814 0.93<BR>7.815 0.9<BR>7.816 0.87<BR>7.817 0.84<BR>7.818 0.82<BR>7.819 0.79<BR>7.82 0.76<BR>7.821 0.74<BR>7.822 0.71<BR>7.823 0.69<BR>7.824 0.67<BR>7.825 0.64<BR>7.826 0.62<BR>7.827 0.6<BR>7.828 0.58<BR>7.829 0.56<BR>7.83 0.54<BR>7.831 0.53<BR>7.832 0.51<BR>7.833 0.49<BR>7.834 0.48<BR>7.835 0.46<BR>7.836 0.45<BR>7.837 0.43<BR>7.838 0.42<BR>7.839 0.41<BR>7.84 0.39<BR>7.841 0.38<BR>7.842 0.37<BR>7.843 0.36<BR>7.844 0.35<BR>7.845 0.34<BR>7.846 0.33<BR>7.847 0.32<BR>7.848 0.31<BR>7.849 0.31<BR>7.85 0.3<BR>7.851 0.29<BR>7.852 0.29<BR>7.853 0.28<BR>7.854 0.27<BR>7.855 0.27<BR>7.856 0.26<BR>7.857 0.26<BR>7.858 0.25<BR>7.859 0.25<BR>7.86 0.24<BR>7.861 0.23<BR>7.862 0.23<BR>7.863 0.22<BR>7.864 0.22<BR>7.865 0.21<BR>7.866 0.21<BR>7.867 0.2<BR>7.868 0.2<BR>7.869 0.19<BR>7.87 0.19<BR>7.871 0.18<BR>7.872 0.18<BR>7.873 0.17<BR>7.874 0.17<BR>7.875 0.16<BR>7.876 0.16<BR>7.877 0.15<BR>7.878 0.15<BR>7.879 0.14<BR>7.88 0.14<BR>7.881 0.13<BR>7.882 0.13<BR>7.883 0.12<BR>7.884 0.12<BR>7.885 0.11<BR>7.886 0.11<BR>7.887 0.1<BR>7.888 0.1<BR>7.889 0.09<BR>7.89 0.09<BR>7.891 0.08<BR>7.892 0.08<BR>7.893 0.07<BR>7.894 0.07<BR>7.895 0.06<BR>7.896 0.06<BR>7.897 0.05<BR>7.898 0.05<BR>7.899 0.04<BR>7.9 0.04<BR>7.901 0.04<BR>7.902 0.03<BR>7.903 0.03<BR>7.904 0.03<BR>7.905 0.02<BR>7.906 0.02<BR>7.907 0.02<BR>7.908 0.02<BR>7.909 0.01<BR>7.91 0.01<BR>7.911 0.01<BR>7.912 0.01<BR>7.913 0.01<BR>7.914 0.01<BR>7.915 0.01<BR>7.916 0.0<BR>7.917 0.0<BR>7.918 0.0<BR>7.919 0.0<BR>7.92 0.0<BR>7.921 0.0<BR>7.922 0.0<BR>7.923 0.0<BR>7.924 0.0<BR>7.925 0.0<BR>7.926 0.0<BR>7.927 0.0<BR>7.928 0.0<BR>7.929 0.0<BR>7.93 0.0<BR>7.931 0.0<BR>7.932 0.0<BR>7.933 0.0<BR>7.934 0.0<BR>7.935 0.0<BR>7.936 0.0<BR>7.937 0.0<BR>7.938 0.0<BR>7.939 0.0<BR>7.94 0.0<BR>7.941 0.0<BR>7.942 0.0<BR>7.943 0.0<BR>7.944 0.0<BR>7.945 0.0<BR>7.946 0.0<BR>7.947 0.0<BR>7.948 0.0<BR>7.949 0.0<BR>7.95 0.0<BR>7.951 0.0<BR>7.952 0.0<BR>7.953 0.0<BR>7.954 0.0<BR>7.955 0.0<BR>7.956 0.0<BR>7.957 0.0<BR>7.958 0.0<BR>7.959 0.0<BR>7.96 0.0<BR>7.961 0.0<BR>7.962 0.0<BR>7.963 0.0<BR>7.964 0.0<BR>7.965 0.0<BR>7.966 0.0<BR>7.967 0.0<BR>7.968 0.0<BR>7.969 0.0<BR>7.97 0.0<BR>7.971 0.0<BR>7.972 0.0<BR>7.973 0.0<BR>7.974 0.0<BR>7.975 0.0<BR>7.976 0.0<BR>7.977 0.0<BR>7.978 0.0<BR>7.979 0.0<BR>7.98 0.0<BR>7.981 0.0<BR>7.982 0.0<BR>7.983 0.0<BR>7.984 0.0<BR>7.985 0.0<BR>7.986 0.0<BR>7.987 0.0<BR>7.988 0.0<BR>7.989 0.0<BR>7.99 0.0<BR>7.991 0.0<BR>7.992 0.0<BR>7.993 0.0<BR>7.994 0.0<BR>7.995 0.0<BR>7.996 0.0<BR>7.997 0.0<BR>