%chk=000030187.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000030187 0 1 S -1.674600 -2.359000 0.2459000 O -1.962800 -3.219100 -0.8933000 O -1.842400 -2.871200 1.599900 O -5.758900 2.694600 -1.193100 O -5.585800 2.975400 0.9773000 N -5.301600 2.353900 -7.5199999E-02 N 3.913700 -0.4850000 -0.4426000 N 3.189700 1.791700 -0.7010000 N 5.462600 1.126200 -0.7753000 N 7.465000 1.772700 0.2306000 N 5.669700 1.433200 1.600700 C -3.0400001E-02 -1.808200 4.3200001E-02 C -2.753700 -0.9557000 0.1501000 C 0.5314000 -1.742900 -1.231900 C 0.7215000 -1.432700 1.156500 C -3.257600 -0.5795000 -1.080300 C -3.067100 -0.2704000 1.308400 C 1.845000 -1.302400 -1.393700 C 2.035000 -0.9922000 0.9947000 C -4.107000 0.5243000 -1.155500 C -3.916600 0.8334000 1.233000 C -4.436600 1.230700 1.1000000E-03 C 2.590900 -0.9290000 -0.2797000 C 4.132500 0.7878000 -0.6251000 C 6.137900 1.423500 0.3054000 H -3.6699999E-02 -2.021800 -2.114800 H 0.3018000 -1.469700 2.157900 H -3.006200 -1.113200 -1.991500 H -2.665600 -0.5573000 2.275200 H 2.274400 -1.253100 -2.390700 H 2.613400 -0.7002000 1.867200 H -4.491800 0.8061000 -2.132300 H -4.150000 1.361200 2.154200 H 3.469500 2.754600 -0.8543000 H 2.196700 1.610700 -0.6069000 H 7.947900 1.808800 -0.6605000 H 7.999500 2.005500 1.060500 H 4.709700 1.196400 1.825900 H 6.276400 1.678200 2.375600 %chk=000030187-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000030187 0 1 S -1.607961 -2.339386 0.258049 O -1.717236 -3.186244 -1.140574 O -1.817375 -2.998691 1.743287 O -6.307635 2.363523 -1.356793 O -6.388151 2.512597 0.917941 N -5.923994 2.010767 -0.176287 N 3.829530 0.395874 0.353338 N 3.572640 1.969902 -1.460043 N 5.658597 1.696723 -0.524442 N 7.849283 1.643761 0.224652 N 6.248531 0.268406 1.314339 C 0.043738 -1.448325 0.259095 C -2.926434 -0.966225 0.123076 C 0.694330 -1.241128 -0.969642 C 0.610025 -1.090095 1.496761 C -3.367012 -0.598322 -1.158865 C -3.446497 -0.430564 1.312738 C 1.946476 -0.597296 -0.962209 C 1.863130 -0.453180 1.492385 C -4.364436 0.393363 -1.259744 C -4.444101 0.561420 1.214788 C -4.875707 0.959600 -0.070409 C 2.552276 -0.174978 0.268982 C 4.333013 1.298986 -0.515200 C 6.553526 1.183873 0.345364 H 0.247230 -1.609247 -1.899528 H 0.092022 -1.329885 2.431440 H -2.959220 -1.098365 -2.043315 H -3.098025 -0.803670 2.281148 H 2.489967 -0.466671 -1.904068 H 2.340673 -0.158958 2.432117 H -4.752568 0.726537 -2.225469 H -4.890768 1.020409 2.100310 H 4.039889 2.686884 -2.009962 H 2.563482 1.856049 -1.509834 H 8.028862 2.326751 -0.506977 H 8.608057 1.314802 0.814322 H 5.226523 0.002351 1.301870 H 6.934120 -0.095047 1.972958