%chk=000070444.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000070444 0 1 P 0.7630000 0.1917000 0.6734000 O 0.5752000 -1.403100 0.8986000 O 2.261300 0.3149000 6.9899999E-02 O 0.5188000 0.9973000 1.918300 N -1.669500 0.3074000 -0.2040000 C -0.3167000 0.5795000 -0.6951000 C -2.051900 1.193700 0.8972000 C -2.631300 0.4592000 -1.300500 C -3.440400 0.8585000 1.414900 C -2.276700 -0.4426000 -2.470600 C 0.8808000 -2.322400 -0.1356000 C 2.676900 1.560500 -0.4624000 C 0.6104000 -3.727700 0.3580000 C 4.100200 1.433000 -0.9620000 H -0.2118000 1.628300 -0.9940000 H -9.7000003E-03 -4.1900001E-02 -1.537100 H -1.475800 1.028000 1.794200 H -1.986800 2.254500 0.6278000 H -3.631400 0.1458000 -0.9845000 H -2.700300 1.498700 -1.645700 H -4.232400 1.213800 0.7484000 H -3.567100 -0.2176000 1.577600 H -3.606500 1.354200 2.378800 H -1.444500 -5.4099999E-02 -3.065600 H -2.043300 -1.462300 -2.145600 H -3.133700 -0.5095000 -3.150900 H 0.2584000 -2.126000 -1.011200 H 1.933000 -2.220900 -0.4171000 H 2.028000 1.846100 -1.294300 H 2.613200 2.325600 0.3175000 H 0.8377000 -4.465000 -0.4170000 H 1.215200 -3.948300 1.243700 H -0.4384000 -3.837300 0.6533000 H 4.454000 2.379400 -1.380300 H 4.769000 1.134500 -0.1480000 H 4.170500 0.6576000 -1.732000 %chk=000070444-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000070444 0 1 P 0.391418 -0.018638 0.134723 O 0.525335 -1.771367 -0.113916 O 1.950438 0.604051 -0.403123 O 0.070536 0.254440 1.674891 N -2.123377 1.013830 -1.018916 C -0.753071 0.804606 -1.296299 C -2.546624 2.191513 -0.226906 C -3.079047 -0.095218 -1.219382 C -2.803329 1.947114 1.280365 C -2.977787 -1.276364 -0.220738 C 1.163535 -2.289472 -1.350525 C 3.090185 0.607268 0.557580 C 1.446680 -3.771109 -1.105384 C 3.970795 1.807968 0.215779 H -0.209431 1.750158 -1.462696 H -0.602059 0.129920 -2.158370 H -1.759962 2.961950 -0.342042 H -3.465417 2.600730 -0.695455 H -4.094499 0.341494 -1.174454 H -2.944868 -0.484909 -2.250760 H -3.664117 1.271373 1.435188 H -1.916218 1.504454 1.766519 H -3.041796 2.908138 1.774679 H -1.988049 -1.766306 -0.261323 H -3.142664 -0.944279 0.817858 H -3.742497 -2.036992 -0.468168 H 0.473370 -2.157766 -2.210828 H 2.093346 -1.724486 -1.557519 H 2.693906 0.669034 1.589519 H 3.642127 -0.345600 0.442144 H 1.910612 -4.226934 -2.000401 H 2.131285 -3.895147 -0.249327 H 0.511521 -4.311558 -0.879888 H 4.858779 1.828262 0.875461 H 4.316199 1.753551 -0.831232 H 3.412147 2.749792 0.351046