%chk=000110044.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110044 0 1 S -2.568100 -1.332300 1.514800 S 0.5104000 1.996200 -1.161700 O -1.761100 -0.7104000 2.554600 O -3.458800 -2.433600 1.848000 O -0.2140000 2.879500 6.5000001E-03 O 0.9379000 -3.389700 -2.762200 O 1.056200 2.934300 -2.129700 O -0.4092000 0.9496000 -1.575500 O -5.847800 3.036100 -0.7071000 C 0.2665000 -0.2676000 0.9167000 C 1.644400 0.1886000 0.5616000 C -0.2482000 -1.394700 4.6100002E-02 C -1.510400 -1.924500 0.2524000 C 1.853400 1.204000 -0.3668000 C 2.732600 -0.4252000 1.182700 C 4.046200 -2.9800000E-02 0.8818000 C 4.258700 1.002600 -6.2500000E-02 C 3.151600 1.609500 -0.6776000 C 0.5813000 -1.871500 -0.9555000 C -1.957000 -2.961700 -0.5667000 C -3.552900 -1.9800000E-02 0.8475000 C 0.1347000 -2.908700 -1.774500 C -1.134400 -3.453700 -1.580100 C 5.153400 -0.6367000 1.496900 C 5.572200 1.398400 -0.3633000 C -4.769100 -0.3221000 0.2637000 C -3.084600 1.278800 0.9246000 C 6.451400 -0.2312000 1.185500 C 6.660500 0.7844000 0.2574000 C -5.544900 0.7111000 -0.2621000 C -3.860400 2.312000 0.3988000 C -5.090500 2.028000 -0.1945000 H 0.3569000 -0.6477000 1.941100 H -0.4097000 0.5785000 0.9492000 H 2.565800 -1.221900 1.906100 H 3.327400 2.403800 -1.399500 H 1.575500 -1.490600 -1.155100 H -2.944100 -3.398200 -0.4440000 H -1.488400 -4.260400 -2.216200 H 5.013900 -1.432600 2.225600 H 5.759900 2.190000 -1.085800 H -5.135800 -1.341500 0.1958000 H -2.158900 1.540400 1.419700 H 7.299100 -0.7088000 1.668300 H 7.671300 1.099700 1.5600000E-02 H -6.501500 0.4836000 -0.7245000 H -3.499900 3.335000 0.4665000 H 0.3486000 3.574600 0.4217000 H 1.778300 -2.900300 -2.756300 H -5.381200 3.879200 -0.5749000 %chk=000110044-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000110044 0 1 S -1.709706 -1.424594 1.597441 S 1.945172 2.175567 -2.700434 O -0.563110 -0.577653 2.419588 O -2.302898 -2.822281 2.207776 O 0.778597 3.423522 -1.961642 O 0.046772 -3.218051 -3.930773 O 3.207573 2.943988 -3.356200 O 1.061474 1.204943 -3.655860 O -6.452023 2.297627 0.994677 C 0.030093 0.481525 -0.574010 C 1.526831 0.631830 -0.275819 C -0.362302 -0.947082 -0.967179 C -1.082616 -1.853288 -0.152201 C 2.461824 1.352437 -1.085516 C 2.062688 0.059276 0.888559 C 3.444877 0.173140 1.240298 C 4.345131 0.914795 0.381785 C 3.813233 1.517459 -0.798439 C 0.009459 -1.419789 -2.251224 C -1.390633 -3.172153 -0.543914 C -3.162576 -0.240990 1.373487 C -0.304363 -2.733458 -2.667466 C -0.996732 -3.624585 -1.813313 C 3.966353 -0.425302 2.435051 C 5.729487 1.032706 0.736921 C -4.382825 -0.752848 0.893757 C -2.992017 1.094465 1.768361 C 5.318780 -0.297389 2.758482 C 6.206715 0.435353 1.904616 C -5.474312 0.126699 0.770624 C -4.089970 1.972224 1.649330 C -5.322835 1.485984 1.144454 H -0.512264 0.791878 0.333482 H -0.271716 1.166314 -1.383684 H 1.373743 -0.467163 1.562603 H 4.455833 2.100165 -1.467762 H 0.529081 -0.727365 -2.927340 H -1.921445 -3.825230 0.157238 H -1.215658 -4.639527 -2.154898 H 3.286083 -0.982980 3.088205 H 6.404098 1.595593 0.081754 H -4.486599 -1.812073 0.638174 H -2.034251 1.425983 2.183554 H 5.710345 -0.758029 3.671718 H 7.264079 0.524478 2.175521 H -6.444083 -0.216219 0.400323 H -3.985893 3.021003 1.953398 H 0.417579 3.972885 -2.717475 H 0.516062 -2.526540 -4.461885 H -6.273930 3.225451 1.288954