%chk=000109396.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109396 0 1 O -2.178000 -0.5152000 0.2233000 O -3.635800 1.082000 -0.5897000 C 1.508800 0.2244000 -0.3376000 C 2.778400 -0.6723000 -0.1925000 C 0.2155000 -0.5066000 9.7499996E-02 C 1.638200 1.581900 0.3980000 C 3.076700 -1.092600 1.249200 C 2.717600 -1.915800 -1.089100 C -1.069500 0.2398000 -0.2519000 C 2.834500 2.421700 -2.9899999E-02 C -3.410800 2.5699999E-02 -1.4700000E-02 C -4.475700 -0.8729000 0.5373000 H 1.405500 0.4525000 -1.408200 H 3.639300 -9.3699999E-02 -0.5491000 H 0.2306000 -0.6907000 1.179100 H 0.1551000 -1.496700 -0.3673000 H 1.668100 1.430700 1.482900 H 0.7521000 2.192600 0.1974000 H 3.208800 -0.2249000 1.901700 H 2.279200 -1.717000 1.663800 H 4.004800 -1.673600 1.293000 H 3.694000 -2.412500 -1.115900 H 2.456400 -1.645100 -2.117200 H 1.991000 -2.650000 -0.7283000 H -1.099600 1.221700 0.2285000 H -1.146900 0.3645000 -1.338100 H 2.863400 2.540800 -1.117400 H 3.777600 1.976300 0.2992000 H 2.771500 3.418800 0.4183000 H -4.348100 -0.9781000 1.617600 H -4.428200 -1.848400 4.6799999E-02 H -5.458100 -0.4328000 0.3436000 %chk=000109396-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109396 0 1 O -2.212460 -0.550562 0.210045 O -3.676222 1.135270 -0.460980 C 1.508289 0.248523 -0.322852 C 2.765184 -0.678400 -0.200216 C 0.212229 -0.449429 0.182680 C 1.701771 1.631476 0.368033 C 3.111492 -1.060379 1.260137 C 2.644301 -1.947714 -1.079751 C -1.059846 0.328335 -0.162139 C 2.955314 2.415724 -0.079842 C -3.486537 -0.010734 0.007146 C -4.553135 -0.999685 0.428997 H 1.378279 0.444769 -1.412294 H 3.619530 -0.095967 -0.602151 H 0.259040 -0.593592 1.279093 H 0.124577 -1.453199 -0.271946 H 1.724126 1.492197 1.468310 H 0.812568 2.258216 0.158642 H 3.264782 -0.169503 1.896281 H 2.312363 -1.672379 1.718478 H 4.042891 -1.656084 1.292224 H 3.608179 -2.489119 -1.114565 H 2.362511 -1.691054 -2.118859 H 1.887458 -2.651526 -0.686173 H -1.160149 1.275714 0.395301 H -1.128639 0.555005 -1.243212 H 2.990701 2.514017 -1.181814 H 3.891028 1.926126 0.244803 H 2.950725 3.435395 0.347502 H -4.430188 -1.259774 1.494604 H -4.455186 -1.934296 -0.149986 H -5.548580 -0.562871 0.264804