%chk=000070565.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000070565 0 1 I -3.563400 -2.465000 -1.734300 I -3.048400 2.555900 1.696900 O 4.287100 4.3000001E-03 0.7137000 O 3.751700 -2.176800 0.4551000 O -4.316700 0.3159000 -0.2621000 O 1.496600 1.096200 -2.307500 N 1.949600 0.9002000 -3.2000002E-02 C 0.9958000 -1.106300 1.020800 C 2.023300 -0.5380000 3.3399999E-02 C -0.4242000 -0.7258000 0.6774000 C -0.9611000 0.4389000 1.202100 C -1.165300 -1.548800 -0.1557000 C 3.422500 -0.9957000 0.4186000 C -2.477900 -1.197900 -0.4722000 C -2.273400 0.7900000 0.8856000 C 1.691300 1.596300 -1.202800 C -3.031900 -2.8400000E-02 4.8500001E-02 C 1.644300 3.085000 -0.9855000 H 1.078500 -2.200700 1.064800 H 1.224400 -0.7648000 2.040200 H 1.836100 -0.9390000 -0.9703000 H 2.129300 1.422400 0.8210000 H -0.3612000 1.067100 1.856100 H -0.7193000 -2.455800 -0.5562000 H 1.617200 3.598000 -1.950700 H 0.7469000 3.342000 -0.4160000 H 2.531300 3.415300 -0.4375000 H 5.175200 -0.3371000 0.9527000 H -4.684900 -0.3655000 -0.8507000 %chk=000070565-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000070565 0 1 I -3.497224 -2.252170 -2.010549 I -3.136961 2.500990 1.889523 O 4.308973 -0.054860 0.985199 O 3.875947 -2.246288 0.338846 O -4.288076 0.470298 -0.283129 O 0.867462 0.867280 -2.049611 N 2.065847 0.912578 -0.056928 C 1.081640 -1.133096 1.084157 C 2.116688 -0.543873 0.048963 C -0.346343 -0.752439 0.742001 C -0.953395 0.380741 1.336292 C -1.082991 -1.495545 -0.212391 C 3.499942 -1.060337 0.429930 C -2.387884 -1.104385 -0.555409 C -2.258118 0.771563 0.981267 C 1.435239 1.533494 -1.132228 C -3.007141 0.038195 0.024686 C 1.461145 3.056293 -1.116968 H 1.210938 -2.230917 1.085937 H 1.347111 -0.763114 2.092160 H 1.861458 -0.944379 -0.950238 H 2.601328 1.462829 0.616140 H -0.400815 0.964014 2.078958 H -0.632002 -2.369892 -0.691182 H 1.759819 3.420857 -2.113602 H 0.440147 3.430782 -0.922468 H 2.141344 3.477545 -0.356612 H 5.186223 -0.442089 1.251377 H -4.696900 -0.112173 -0.980720