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-0.0206 0.0623 -5.586 -2.768 8.354 -1.993 -0.988 2.981 -1.863 -0.923 2.787 8 C 13 -0.3352 0.7987 -0.4997 -0.5829 0.2408 0.776 0.7402 0.5514 0.3848 -0.0038 -0.0017 0.0055 -2.045 -0.914 2.959 -0.73 -0.326 1.056 -0.682 -0.305 0.987 9 H 1 -0.0363 0.0824 0.9959 0.0444 0.9957 -0.0808 0.9984 -0.0413 0.0398 -0.0043 -0.0016 0.0059 -2.315 -0.846 3.16 -0.826 -0.302 1.128 -0.772 -0.282 1.054 10 H 1 -0.3667 0.8732 0.321 0.5207 -0.0932 0.8486 0.7709 0.4784 -0.4205 -0.0038 -0.0017 0.0055 -2.033 -0.908 2.941 -0.725 -0.324 1.049 -0.678 -0.303 0.981 11 H 1 0.0344 0.9842 0.1738 -0.5776 -0.1223 0.8071 0.8156 -0.1281 0.5642 -0.011 -0.009 0.02 -5.876 -4.778 10.654 -2.097 -1.705 3.802 -1.96 -1.594 3.554 12 H 1 -0.673 0.7023 -0.2319 0.7188 0.5473 -0.4288 0.1742 0.4553 0.8731 -0.0095 -0.0051 0.0146 -5.052 -2.728 7.78 -1.803 -0.973 2.776 -1.685 -0.91 2.595 13 H 1 -0.5102 0.2438 0.8248 0.4984 0.8654 0.0525 0.7009 -0.4378 0.563 -0.0105 -0.0079 0.0184 -5.603 -4.207 9.81 -1.999 -1.501 3.5 -1.869 -1.403 3.272 14 H 1 0.0639 -0.4585 0.8864 0.4465 0.8075 0.3855 0.8925 -0.3712 -0.2563 -0.0106 -0.0093 0.0199 -5.649 -4.977 10.626 -2.016 -1.776 3.792 -1.884 -1.66 3.544 15 H 1 0.9766 0.202 0.0743 0.0659 -0.6095 0.79 -0.2049 0.7666 0.6086 -0.0069 -0.0026 0.0095 -3.694 -1.391 5.085 -1.318 -0.496 1.814 -1.232 -0.464 1.696 16 H 1 -0.655 -0.0954 0.7496 0.5883 0.5582 0.5851 -0.4742 0.8242 -0.3094 -0.0067 -0.0022 0.0089 -3.555 -1.192 4.747 -1.268 -0.425 1.694 -1.186 -0.398 1.583 17 H 1 0.0229 -0.0809 0.9965 0.9628 -0.2667 -0.0438 0.2693 0.9604 0.0717 -0.0033 -0.0018 0.0052 -1.785 -0.974 2.759 -0.637 -0.348 0.984 -0.595 -0.325 0.92 18 H 1 0.1579 0.3893 0.9075 0.9658 -0.2525 -0.0597 0.2059 0.8858 -0.4158 -0.0038 -0.0023 0.0061 -2.026 -1.254 3.279 -0.723 -0.447 1.17 -0.676 -0.418 1.094 19 H 1 0.0802 0.9319 -0.3537 0.4925 0.2715 0.8269 0.8666 -0.2405 -0.4372 -0.0111 -0.009 0.0201 -5.919 -4.807 10.726 -2.112 -1.715 3.827 -1.974 -1.604 3.578 20 H 1 0.3081 0.9594 -0.0288 1.0081 -50.9306 -53.3989 -50.2575 -1.8137 0.1359 0.1512 0.5984 -1.8699 1.2715 -1.8137 0.1359 0.1512 -1.9366 6.6396 -0.5057 4.8248 0.2690 0.2159 -1.1931 2.1328 0.1378 0.0557 -672.9372 -378.2566 -209.5646 -5.9388 -0.7845 -12.7566 1.2171 -0.2467 0.6426 -171.0436 -143.6603 -95.2516 -1.7368 2.4003 0.1443 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-N7025 HUILINGS 23-Apr-2024 0 #uwb97xd/def2TZVPP Title Card Required 0 2 Version=ES64L-G16RevA.03 State=2-A HF=-312.6102751 S2=0.754074 S2-1=0. S2A=0.750012 RMSD=4.952e-09 Dipole=0.1212121,0.3774661,-0.0113317 Quadrupole=0.4449243,-1.3902607,0.9453365,-1.3484414,0.1010141,0.1124394 PG=C01 [X(C8H13)] 0 2.352626 0.38007 0.023031 0 0.86347 0.081652 -0.005056 0 0.24898 -0.780963 1.144118 0 -0.71823 -1.237179 0.0598 0 -1.92455 -0.361394 -0.120129 0 -1.481679 1.109889 0.127456 0 0.002644 1.346131 -0.216068 0 0.35184 -1.014428 -0.991401 0 2.606091 1.041015 0.867235 0 2.938755 -0.545949 0.126267 0 2.668715 0.881252 -0.906146 0 0.951599 -1.572209 1.450086 0 -0.143359 -0.275575 2.039819 0 -2.326184 -0.488455 -1.138287 0 -2.73259 -0.622333 0.582604 0 -1.630897 1.334563 1.194336 0 -2.128025 1.811101 -0.421425 0 0.394071 2.167404 0.406796 0 0.12106 1.670486 -1.26414 0 1.073064 -1.844416 -1.068384 0 0.037096 -0.69956 -1.99927