%chk=000124296.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124296 0 1 Br -2.865900 2.761300 -0.6036000 Cl 1.776600 -2.576600 -1.286000 O 1.456900 0.5300000 1.088100 O 3.865600 -1.085700 0.2277000 O 1.875500 3.230500 0.4447000 O -1.012800 -2.745600 0.6906000 O -4.465600 0.1355000 -0.2599000 N -0.4908000 -0.5031000 0.3055000 N -2.723200 -1.293100 0.2157000 C 3.014500 -0.2266000 -0.5300000 C 0.9224000 -0.6666000 0.4936000 C 1.671200 -0.8730000 -0.8141000 C 2.617000 0.9578000 0.3443000 C 2.237000 2.196700 -0.4563000 C -1.373100 -1.597000 0.4245000 C -0.9746000 0.7624000 1.6000000E-03 C -2.266700 1.045100 -0.1971000 C -3.264000 -5.1899999E-02 -8.9400001E-02 H 3.551400 5.9599999E-02 -1.439700 H 1.110500 -1.483300 1.201100 H 1.178700 -0.3425000 -1.637500 H 3.387000 1.212200 1.081200 H 1.416700 2.028200 -1.156900 H 3.101400 2.542100 -1.033700 H 4.685800 -0.5958000 0.4095000 H -0.2629000 1.567400 -6.5300003E-02 H -3.377800 -2.066200 0.2963000 H 1.656900 4.012600 -9.0000004E-02 %chk=000124296-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000124296 0 1 Br -3.444788 2.190510 -1.451050 Cl 1.508578 -2.304495 -1.779050 O 1.262277 0.777801 0.862585 O 3.627235 -1.255425 0.081827 O 2.715764 3.376866 0.848372 O -0.877191 -2.489955 1.443409 O -4.770110 -0.441113 -0.135202 N -0.651955 -0.483436 0.211283 N -2.784839 -1.414704 0.616617 C 2.984489 -0.143702 -0.611308 C 0.807915 -0.523904 0.320751 C 1.576099 -0.616045 -1.015678 C 2.655855 1.029080 0.369830 C 2.741923 2.420252 -0.258398 C -1.401408 -1.539620 0.811871 C -1.273490 0.592522 -0.420454 C -2.633399 0.671909 -0.573491 C -3.516805 -0.384949 -0.052871 H 3.578897 0.187544 -1.485128 H 1.066208 -1.367079 0.984617 H 1.147474 0.069303 -1.765146 H 3.328657 0.993681 1.246991 H 1.894593 2.575663 -0.960839 H 3.696506 2.501830 -0.825877 H 4.554476 -1.010014 0.325744 H -0.605451 1.392240 -0.747148 H -3.351270 -2.167970 1.021226 H 2.611461 4.297610 0.501416