81 E_rel(M06/TZ) = 4.5 Pd -0.920136 -0.508110 -0.018871 C -0.719102 1.381897 -0.658966 C 0.030303 3.330264 -1.576281 C 0.694865 4.325951 -2.307099 H 1.499355 4.080983 -3.014260 C 0.287365 5.652050 -2.098344 H 0.784775 6.461544 -2.652382 C -0.749479 5.967021 -1.192352 H -1.042596 7.017981 -1.053301 C -1.418539 4.969999 -0.467034 H -2.227921 5.223801 0.231165 C -1.012692 3.642443 -0.672346 C -2.587646 2.298261 0.774932 H -3.322906 1.632609 0.273286 H -3.046305 3.301769 0.865690 C -2.231341 1.729176 2.144351 H -1.712576 0.755633 1.979527 H -1.513894 2.400842 2.666295 C -3.464040 1.476416 3.013667 H -4.168127 0.830103 2.445802 H -4.001492 2.434284 3.196691 C -3.112101 0.803559 4.340758 H -4.013391 0.628014 4.961314 H -2.410259 1.424188 4.937473 H -2.628268 -0.179590 4.163840 C 1.189733 1.220461 -2.290600 H 1.155091 1.575732 -3.342591 H 0.877910 0.159800 -2.289110 C 2.594352 1.384875 -1.702606 H 2.836018 2.466319 -1.612170 H 2.590262 0.990867 -0.667391 C 3.686344 0.679706 -2.509751 H 3.729224 1.110721 -3.534859 H 3.410751 -0.388024 -2.641930 C 5.058893 0.772534 -1.841682 H 5.841237 0.269514 -2.444237 H 5.049073 0.292855 -0.840919 H 5.369711 1.829279 -1.703117 C 0.986678 -0.833145 0.496421 C 3.089991 -0.793949 1.372306 C 4.262034 -0.551217 2.103196 H 4.304214 0.215032 2.887998 C 5.388724 -1.327691 1.789584 H 6.325322 -1.158555 2.340641 C 5.344228 -2.321227 0.787269 H 6.246880 -2.911436 0.571797 C 4.170037 -2.573840 0.062062 H 4.132206 -3.352175 -0.712168 C 3.047434 -1.790795 0.367630 C 1.231440 -2.803614 -1.056306 H 0.132214 -2.792646 -0.927549 H 1.581981 -3.788082 -0.679752 C 1.610145 -2.631564 -2.527040 H 2.715439 -2.634195 -2.643508 H 1.257699 -1.640077 -2.879787 C 0.987448 -3.722332 -3.411557 H 1.336727 -4.719751 -3.061425 H 1.393816 -3.607605 -4.439086 C -0.543449 -3.692970 -3.458992 H -0.933483 -4.445527 -4.172757 H -0.920055 -2.698436 -3.776440 H -1.004450 -3.906563 -2.473577 C 1.366590 0.778466 2.378195 H 1.904532 0.584764 3.328416 H 0.296951 0.570257 2.563784 C 1.546863 2.229090 1.914096 H 1.052554 2.336842 0.929821 H 0.965620 2.869986 2.612531 C 2.988325 2.750766 1.832094 H 3.605527 2.056458 1.221544 H 2.977912 3.705912 1.264998 C 3.647035 2.986032 3.193010 H 4.693711 3.334112 3.084831 H 3.671204 2.067438 3.816512 H 3.096472 3.752928 3.776407 N -1.445683 2.429682 -0.137371 N 0.174591 1.944042 -1.537160 N 1.750830 -1.785425 -0.140590 N 1.810484 -0.231984 1.416346 I -1.447110 -2.682356 1.499109 I -3.266411 -0.587433 -1.342321