%chk=8Cl_2COOMe_add1.chk %Mem=12000MB %NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput coments 0 2 N 1.73655800 -1.07882200 -0.66835800 C 0.98200500 -0.07731400 -0.21249500 C 1.89905400 0.96319200 0.41919500 C 3.18496000 0.15890500 0.70735700 H 4.07955900 0.75404200 0.53543500 H 3.20340800 -0.16076400 1.74767100 C 3.15416500 -1.07765100 -0.20789900 C 4.12811600 -0.97262500 -1.38411700 H 4.10302100 -1.86519400 -2.00994400 H 5.14206500 -0.87120000 -0.99548400 H 3.91390000 -0.10518300 -2.00806500 C 3.42939800 -2.36143600 0.57732700 H 2.70443800 -2.48182600 1.38375000 H 4.42709300 -2.30816000 1.01688700 H 3.39298600 -3.24378400 -0.06325100 C 1.32621500 1.60572100 1.69557600 H 2.11296800 2.22038400 2.13907400 H 0.52260200 2.28906100 1.41838900 C 0.80412200 0.63307100 2.74897100 H 1.57071100 -0.07325000 3.07444200 H -0.04292800 0.05524100 2.37609200 H 0.46855800 1.18051500 3.63253700 C 2.17429100 2.03964000 -0.66945800 H 2.68168500 1.55386200 -1.50429400 H 1.22453100 2.39313300 -1.06687800 C 2.99961000 3.23770300 -0.20863900 H 3.94780300 2.93361600 0.24001000 H 2.46317900 3.84488600 0.52137400 H 3.23105200 3.87861600 -1.06235700 C -1.55388100 1.15760200 -0.31227600 C -1.43923200 2.54445900 -0.45230100 H -0.46797700 3.01570200 -0.49877200 C -2.56763100 3.35912100 -0.52523100 H -2.45002400 4.43127800 -0.62812400 C -3.84510200 2.80545900 -0.46633600 H -4.71733500 3.44483100 -0.52629500 C -3.99876000 1.42787800 -0.32698400 H -4.99164900 0.99621100 -0.27719800 C -2.87262700 0.61816000 -0.24909600 C -2.82908000 -0.83841000 -0.07293200 C -3.89272300 -1.70942200 0.12850300 H -4.91383300 -1.34614500 0.12179100 C -3.63632400 -3.05954000 0.36094200 H -4.45844500 -3.74640200 0.52072800 C -2.32176700 -3.52293000 0.40951700 H -2.12825000 -4.56909000 0.61480800 C -1.25735000 -2.64839700 0.20095300 H -0.24861600 -3.03464200 0.26438400 C -1.48270000 -1.29581700 -0.07049200 C 1.31271600 -2.06386400 -1.64516100 H 1.38422900 -3.07694800 -1.25062200 H 0.28854400 -1.86586900 -1.93961000 H 1.95063800 -1.99371300 -2.52749300 B -0.54693400 -0.04769800 -0.24800600 C -1.73027028 1.05244045 -5.18996529 H -1.19404663 0.84988017 -6.09347706 C -2.69399568 -0.04322052 -5.07580292 C -1.94985842 2.50085471 -5.20411176 O -2.35340821 -1.20550021 -4.96526574 O -3.97517247 0.32616164 -5.12102757 O -1.05066493 3.29586909 -5.02906488 O -3.22658627 2.87879791 -5.33013802 C -4.92460644 -0.71965366 -5.04089423 C -3.48389311 4.25434870 -5.12231125 H -5.90537533 -0.23696709 -4.96534287 H -4.88117628 -1.35509642 -5.93873046 H -4.74322553 -1.34762622 -4.15809254 H -4.55075986 4.40128460 -5.33025203 H -3.26352043 4.53284615 -4.07957434 H -2.87912114 4.88079209 -5.79328821 H -1.03808446 0.89015954 -4.39031305 --Link1-- %chk=8Cl_2COOMe_add1.chk %Mem=12000MB %NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput