%chk=000070071.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000070071 0 1 P -0.1136000 0.1292000 1.653700 O -5.426200 1.289900 -0.8118000 O 3.729800 3.759400 -1.121100 O 1.561200 -5.124400 -0.6360000 C -1.732900 0.4833000 0.9023000 C 1.062400 1.240300 0.8045000 C 0.3987000 -1.478800 0.9531000 C -2.152200 -0.2315000 -0.2198000 C 2.408900 1.216500 1.153500 C 1.140400 -1.513700 -0.2234000 C -2.554800 1.469100 1.448300 C 0.6044000 2.103300 -0.1860000 C 4.4300001E-02 -2.658000 1.600200 C -3.393300 3.9600000E-02 -0.7959000 C 3.306900 2.064500 0.5052000 C 1.531800 -2.741100 -0.7584000 C -3.795900 1.740100 0.8724000 C 1.502300 2.951200 -0.8343000 C 0.4357000 -3.885300 1.065400 C -4.215100 1.025400 -0.2497000 C 2.853600 2.931900 -0.4886000 C 1.179400 -3.926800 -0.1140000 C -5.792200 0.5219000 -1.957200 C 5.096700 3.687900 -0.7183000 C 2.319700 -5.094000 -1.844000 H -1.552700 -1.001600 -0.6918000 H 2.782700 0.5504000 1.927400 H 1.413100 -0.6345000 -0.7957000 H -2.247700 2.038700 2.322400 H -0.4316000 2.163800 -0.4987000 H -0.5354000 -2.647400 2.519900 H -3.656400 -0.5510000 -1.666800 H 4.341800 1.998400 0.8231000 H 2.100100 -2.702100 -1.681500 H -4.431900 2.509300 1.301900 H 1.144200 3.624900 -1.608100 H 0.1581000 -4.805900 1.571600 H -5.883000 -0.5425000 -1.715700 H -6.783500 0.8638000 -2.272300 H -5.110900 0.7008000 -2.796000 H 5.650500 4.412700 -1.324000 H 5.223700 3.983100 0.3288000 H 5.526700 2.702300 -0.9268000 H 1.743500 -4.663400 -2.670000 H 3.282200 -4.590900 -1.702500 H 2.538600 -6.132200 -2.114300 %chk=000070071-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000070071 0 1 P 0.008204 0.041494 1.647749 O -5.483438 1.459911 -0.679880 O 3.789728 3.979505 -1.152910 O 1.396486 -5.464095 -0.666853 C -1.654279 0.417545 0.830944 C 1.151730 1.246065 0.745578 C 0.465155 -1.600762 0.832259 C -2.183170 -0.303907 -0.264125 C 2.413329 1.513620 1.331368 C 1.285234 -1.717292 -0.313303 C -2.435723 1.468130 1.388691 C 0.813129 1.916091 -0.460309 C -0.014548 -2.793460 1.443088 C -3.456065 0.004016 -0.801414 C 3.330760 2.408372 0.734516 C 1.626278 -2.982533 -0.848274 C -3.695928 1.796720 0.859707 C 1.708823 2.819159 -1.063031 C 0.302377 -4.058497 0.917720 C -4.212362 1.060839 -0.237776 C 2.972899 3.065030 -0.469774 C 1.129175 -4.156641 -0.230956 C -6.073403 0.722637 -1.799263 C 5.101185 4.280227 -0.574032 C 2.262666 -5.623167 -1.836885 H -1.605026 -1.124289 -0.703913 H 2.687354 1.019515 2.271431 H 1.674323 -0.813644 -0.795236 H -2.052704 2.031279 2.248089 H -0.162869 1.738753 -0.925225 H -0.640000 -2.728658 2.341476 H -3.837562 -0.579406 -1.644988 H 4.297011 2.588522 1.215177 H 2.269640 -3.034340 -1.732031 H -4.300486 2.604815 1.282755 H 1.451634 3.343902 -1.988420 H -0.065008 -4.978570 1.382541 H -6.208554 -0.348069 -1.550137 H -7.054409 1.191077 -1.966619 H -5.455563 0.814579 -2.713952 H 5.558446 5.006991 -1.261428 H 5.003831 4.729912 0.433391 H 5.734343 3.373324 -0.514990 H 1.819624 -5.149756 -2.734904 H 3.269250 -5.198917 -1.653770 H 2.340579 -6.709426 -1.991081