%chk=000036111.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000036111 0 1 C -1.877100 -0.2660000 -0.2023000 C -1.396100 -1.600600 0.3747000 C -0.9456000 0.8646000 0.2596000 C -9.9999997E-05 -1.938300 -0.1469000 C -3.318600 2.1000000E-02 0.2125000 C 0.5190000 0.5394000 9.6799999E-02 C 0.9668000 -0.7853000 -5.4800000E-02 C -3.832300 1.299200 -0.4213000 C 1.457700 1.580800 0.1555000 C 2.341300 -1.037700 -0.1813000 C 2.821800 1.315800 3.9099999E-02 C 3.263300 7.1999999E-03 -0.1318000 H -1.834200 -0.3343000 -1.298700 H -2.085500 -2.410000 0.1067000 H -1.378000 -1.546700 1.471300 H -1.122900 1.091900 1.318800 H -1.158500 1.772100 -0.3179000 H -7.0500001E-02 -2.239500 -1.199700 H 0.3871000 -2.795400 0.4170000 H -3.405400 9.0499997E-02 1.303400 H -3.960200 -0.8101000 -0.1050000 H -3.349800 2.187000 -2.0999999E-03 H -3.683000 1.297600 -1.505700 H -4.906500 1.400300 -0.2331000 H 1.128100 2.607900 0.2928000 H 2.700600 -2.054800 -0.3192000 H 3.538700 2.130400 8.2000002E-02 H 4.325100 -0.2005000 -0.2267000 %chk=000036111-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000036111 0 1 C -1.882666 -0.247360 -0.200825 C -1.390278 -1.594670 0.381162 C -0.927988 0.878702 0.264532 C 0.008686 -1.955366 -0.161227 C -3.354886 0.030785 0.192251 C 0.554182 0.541509 0.108154 C 1.000889 -0.798965 -0.063913 C -3.957593 1.308495 -0.432730 C 1.514141 1.585254 0.157704 C 2.392076 -1.054753 -0.172213 C 2.895465 1.322556 0.047290 C 3.339057 -0.010863 -0.118037 H -1.827795 -0.317243 -1.309780 H -2.107188 -2.401551 0.132418 H -1.358523 -1.518184 1.487822 H -1.137835 1.089113 1.336435 H -1.144967 1.818320 -0.278384 H -0.086678 -2.255307 -1.226310 H 0.413928 -2.838335 0.370199 H -3.425474 0.089919 1.298992 H -3.968804 -0.842046 -0.110889 H -3.448985 2.221209 -0.073004 H -3.871808 1.287498 -1.535875 H -5.029468 1.405452 -0.179997 H 1.167226 2.619110 0.284990 H 2.733182 -2.090389 -0.300735 H 3.618178 2.145342 0.088453 H 4.409124 -0.231735 -0.202783