%chk=000155355.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000155355 0 1 S -1.329500 -1.895200 9.9999997E-05 C 0.1553000 0.2216000 3.0000001E-04 C -1.210800 0.6619000 8.9999998E-04 C 0.2369000 -1.174400 1.9999999E-04 C 1.361800 0.9625000 -9.9999997E-05 C -2.108600 -0.3791000 6.0000003E-04 C 1.478700 -1.839600 9.9999997E-05 C -1.634900 2.086500 1.9999999E-04 C 2.595200 0.3057000 -6.9999998E-04 C 1.393400 2.461800 -1.9999999E-04 C 2.650600 -1.080700 -9.9999997E-05 C -3.588100 -0.3310000 -1.4000000E-03 H -2.724600 2.194300 5.0000002E-04 H -1.277100 2.603800 0.8947000 H -1.277800 2.602700 -0.8953000 H 1.531700 -2.924600 1.9999999E-04 H 3.527000 0.8657000 -1.1000000E-03 H 0.9152000 2.859900 -0.8990000 H 0.9157000 2.860000 0.8988000 H 2.420500 2.845100 -3.9999999E-04 H 3.614300 -1.583000 -1.9999999E-04 H -4.046300 -1.325800 -1.2000001E-03 H -3.954800 0.1975000 0.8852000 H -3.952500 0.1962000 -0.8897000 %chk=000155355-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000155355 0 1 S -1.332688 -2.008346 -0.000500 C 0.179517 0.222931 -0.000256 C -1.222117 0.669476 -0.000416 C 0.290149 -1.208937 -0.000277 C 1.398395 0.985904 -0.000100 C -2.132030 -0.375370 -0.000547 C 1.518286 -1.897684 -0.000176 C -1.690957 2.111950 -0.000533 C 2.625971 0.285357 0.000007 C 1.435856 2.507401 -0.000012 C 2.699053 -1.131723 -0.000024 C -3.639786 -0.320506 -0.000731 H -2.791912 2.169353 -0.000520 H -1.331627 2.659522 0.889573 H -1.331685 2.659338 -0.890783 H 1.553865 -2.991797 -0.000220 H 3.556982 0.864795 0.000131 H 0.939561 2.935805 -0.889482 H 0.939597 2.935683 0.889537 H 2.480644 2.861655 -0.000007 H 3.675353 -1.628120 0.000053 H -4.081242 -1.331299 0.000146 H -4.024000 0.209001 0.891526 H -4.023886 0.207412 -0.893988