%chk=000119606.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000119606 0 1 P -0.4941000 0.2561000 -0.6264000 O -1.924700 0.2374000 0.1241000 O 0.2613000 1.539500 3.9999999E-04 O -0.5924000 0.2507000 -2.120500 O 2.260000 -1.091100 -1.493900 N 1.801100 -0.9026000 -0.3244000 C 0.3916000 -1.157800 3.3500001E-02 C 0.5024000 -1.169800 1.558300 C 1.696700 -0.2741000 1.868100 C -5.1300000E-02 -2.489900 -0.5391000 C 2.528500 -0.4285000 0.6465000 C -2.799600 -0.8703000 5.9000002E-03 C -0.1973000 2.839300 -0.3267000 C -4.050700 -0.5989000 0.8139000 C 0.6686000 3.860100 0.3802000 H 0.7158000 -2.182700 1.924200 H -0.4042000 -0.8218000 2.061300 H 2.246700 -0.6222000 2.746400 H 1.433100 0.7748000 2.017800 H -0.8723000 -2.947500 1.3500000E-02 H -0.3564000 -2.396400 -1.586200 H 0.7649000 -3.222700 -0.5073000 H 3.579400 -0.1438000 0.5495000 H -3.036800 -1.046700 -1.046900 H -2.343400 -1.753600 0.4400000 H -0.1390000 2.979500 -1.410500 H -1.240200 2.944300 -1.2500000E-02 H -4.744600 -1.442300 0.7569000 H -3.801100 -0.4161000 1.864400 H -4.557200 0.2999000 0.4469000 H 0.3420000 4.877600 0.1484000 H 0.6287000 3.714000 1.464700 H 1.716600 3.748200 8.3099999E-02 %chk=000119606-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000119606 0 1 P -0.828753 -0.161714 -0.353004 O -1.974391 -1.031789 0.627223 O -0.604564 1.338446 0.498662 O -1.285921 -0.001260 -1.873606 O 2.327685 0.219964 -1.200728 N 1.938162 -0.226756 -0.018572 C 0.750169 -1.197433 0.071172 C 0.784295 -1.649831 1.549847 C 1.601143 -0.549412 2.298036 C 0.877417 -2.288789 -0.994662 C 2.394335 0.093200 1.194600 C -3.417559 -0.943933 0.253136 C -0.607336 2.620449 -0.280811 C -4.087486 0.287547 0.869349 C 0.809604 3.189849 -0.357274 H 1.316731 -2.617031 1.601075 H -0.224692 -1.787693 1.963373 H 2.240557 -0.975568 3.091170 H 0.930234 0.194544 2.773197 H -0.013694 -2.939945 -0.990010 H 0.982658 -1.831775 -1.992441 H 1.770772 -2.904463 -0.787263 H 3.212148 0.807507 1.289228 H -3.499585 -0.945311 -0.850497 H -3.842156 -1.880265 0.652271 H -1.022051 2.425441 -1.288069 H -1.291644 3.282310 0.278144 H -5.173188 0.266905 0.656945 H -3.944893 0.304102 1.963292 H -3.673422 1.220931 0.450155 H 0.791604 4.157400 -0.894605 H 1.215794 3.367273 0.654214 H 1.480129 2.499701 -0.899948