%chk=000108915.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108915 0 1 Br -3.874300 0.6910000 0.1028000 O 0.1138000 -0.1729000 -1.2100000E-02 O -1.110700 1.771600 -5.7000001E-03 C 2.509600 -0.3557000 -1.8300001E-02 C -2.239100 -0.4076000 -2.9000000E-03 C 1.321300 0.5956000 -1.3800000E-02 C 3.835800 0.3990000 -4.3000001E-03 C -1.050200 0.5489000 -7.8999996E-03 C -2.214500 -1.308500 1.228300 C -2.310900 -1.207000 -1.300700 C 5.019200 -0.5545000 3.4600001E-02 H 2.451500 -1.007300 -0.8992000 H 2.442100 -1.021600 0.8512000 H 1.347600 1.227400 0.8817000 H 1.344200 1.231300 -0.9066000 H 3.879800 1.059400 0.8696000 H 3.912400 1.033700 -0.8948000 H -2.142300 -0.7220000 2.152000 H -3.117100 -1.926800 1.295500 H -1.353300 -1.986100 1.208800 H -2.319700 -0.5477000 -2.176800 H -3.210700 -1.831400 -1.343000 H -1.443900 -1.869000 -1.405800 H 4.989900 -1.180000 0.9325000 H 5.023000 -1.210700 -0.8416000 H 5.958600 7.1999999E-03 4.2599998E-02 %chk=000108915-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108915 0 1 Br -4.027278 0.661979 0.040287 O 0.085129 -0.150370 0.008388 O -1.137948 1.830278 0.012674 C 2.510893 -0.341868 -0.000877 C -2.284834 -0.417965 -0.004943 C 1.347571 0.648783 0.009731 C 3.876597 0.386503 -0.002206 C -1.106086 0.584737 0.009006 C -2.262112 -1.312334 1.250666 C -2.281334 -1.236945 -1.312362 C 5.065829 -0.597201 -0.008544 H 2.431833 -0.990228 -0.894746 H 2.439151 -1.001255 0.885454 H 1.351177 1.292732 0.909103 H 1.345632 1.305222 -0.880616 H 3.945661 1.044975 0.887391 H 3.940749 1.050391 -0.888161 H -2.308520 -0.710718 2.173282 H -3.124666 -1.999330 1.237100 H -1.327421 -1.901793 1.254662 H -2.341504 -0.581557 -2.196722 H -3.143135 -1.924919 -1.327119 H -1.346760 -1.824542 -1.364541 H 5.045099 -1.250678 0.883733 H 5.037316 -1.248201 -0.902451 H 6.031060 -0.059393 -0.012087