%chk=000157809.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000157809 0 1 P 2.735300 0.8175000 1.481100 P 2.795200 -1.2100000E-02 -1.568300 O 1.417700 1.814200 -0.4822000 O 3.823800 1.949000 1.096900 O 3.634200 -0.5143000 1.669900 O 3.745200 -1.210900 -1.048900 O 3.818100 1.216400 -1.803400 O 1.853700 1.144100 2.649200 O 1.944100 -0.3455000 -2.758700 O -3.024500 -0.7472000 -0.9618000 N -0.5088000 -2.439400 0.7422000 C 1.839400 0.4992000 -8.9800000E-02 C 0.5501000 -0.3195000 0.1356000 C 0.7752000 -1.766200 0.5645000 C -1.066800 -2.830100 -0.5526000 C -2.573200 -3.040500 -0.4381000 C -0.3587000 -3.610200 1.606600 C -3.284200 -1.765400 -5.4000001E-03 C -3.021700 0.5450000 -0.5044000 C -3.824900 0.9036000 0.5783000 C -2.216100 1.501700 -1.122100 C -3.822600 2.218700 1.043100 C -2.213700 2.816800 -0.6571000 C -3.017000 3.175200 0.4255000 H -1.8400000E-02 -0.2843000 -0.7972000 H -6.8800002E-02 0.1923000 0.8843000 H 1.414000 -2.301400 -0.1481000 H 1.313200 -1.745000 1.519300 H -0.8889000 -2.081300 -1.331300 H -0.5936000 -3.748300 -0.9259000 H -2.944300 -3.333800 -1.428500 H -2.823300 -3.859500 0.2437000 H 0.9046000 1.733000 -1.304200 H -1.318700 -4.095600 1.806300 H 0.3248000 -4.354600 1.181600 H 3.2200001E-02 -3.312700 2.586700 H -2.949500 -1.492300 1.003100 H -4.364200 -1.951500 2.4900001E-02 H 4.407700 2.304300 1.800500 H 4.182300 -0.6057000 2.478200 H 4.323800 -1.671900 -1.692900 H 4.410600 1.198400 -2.584900 H -4.488100 0.1972000 1.068600 H -1.592900 1.230600 -1.969800 H -4.452800 2.499900 1.881800 H -1.586700 3.561600 -1.138600 H -3.016200 4.199500 0.7865000 %chk=000157809-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000157809 0 1 P 2.870217 0.622486 1.542605 P 2.193005 0.347340 -1.609076 O 0.991743 1.840553 0.263778 O 3.822993 1.973967 0.909968 O 3.941652 -0.648157 1.136264 O 2.718264 -1.294936 -1.748555 O 3.609967 1.296305 -1.693672 O 2.454374 0.771269 3.067072 O 1.072207 0.751513 -2.666792 O -2.492495 -0.688623 -0.919525 N -0.359274 -2.855217 0.892756 C 1.524080 0.475552 0.204995 C 0.448178 -0.561748 0.540629 C 0.872735 -2.025970 0.807623 C -0.977247 -3.149928 -0.427175 C -2.522996 -3.057662 -0.404406 C -0.212742 -4.051431 1.743931 C -3.030265 -1.682751 0.038292 C -2.647112 0.673212 -0.621389 C -3.496829 1.175291 0.395850 C -1.866499 1.561380 -1.411767 C -3.572101 2.572419 0.607452 C -1.958147 2.953089 -1.185048 C -2.809918 3.467565 -0.174971 H -0.276709 -0.553668 -0.294878 H -0.091086 -0.188838 1.433520 H 1.578974 -2.379947 0.025160 H 1.397278 -2.090554 1.779519 H -0.601316 -2.427605 -1.172357 H -0.679309 -4.161506 -0.791079 H -2.910782 -3.290930 -1.414756 H -2.943466 -3.811005 0.291323 H 0.081583 1.875020 -0.155546 H -1.188661 -4.559648 1.847058 H 0.517597 -4.798005 1.343101 H 0.117830 -3.755045 2.755421 H -2.650907 -1.450388 1.052951 H -4.138044 -1.643976 0.028699 H 3.498037 2.860930 1.210673 H 4.708376 -0.775353 1.750663 H 3.100365 -1.523662 -2.634482 H 3.893352 1.693120 -0.802706 H -4.096683 0.500001 1.013091 H -1.211727 1.156969 -2.192402 H -4.232275 2.958071 1.392667 H -1.364886 3.632670 -1.807074 H -2.874732 4.546829 -0.003207