%chk=000113628.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113628 0 1 Br 2.010700 -2.318900 -5.0000002E-04 O -1.102500 -1.436600 3.9999999E-04 C -0.8010000 0.8023000 -1.9999999E-04 C -0.1738000 -0.4394000 9.9999997E-05 C -1.5000000E-03 1.958600 -1.9999999E-04 C -2.194600 0.5306000 -3.0000001E-04 C 1.208600 -0.6166000 1.9999999E-04 C 1.392500 1.812400 3.0000001E-04 C 1.984300 0.5467000 9.9999997E-05 C -2.322700 -0.8391000 1.9999999E-04 H -0.4471000 2.948800 -3.9999999E-04 H -3.005300 1.245300 -6.0000003E-04 H 2.022000 2.698700 3.9999999E-04 H 3.070400 0.4809000 1.9999999E-04 H -3.169800 -1.509300 3.9999999E-04 %chk=000113628-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000113628 0 1 Br 2.062764 -2.381056 0.000272 O -1.114942 -1.495959 0.000042 C -0.797707 0.807793 -0.000037 C -0.154494 -0.468901 0.000035 C -0.003778 1.982051 -0.000058 C -2.227777 0.530774 -0.000052 C 1.240364 -0.612974 0.000096 C 1.398320 1.839931 -0.000004 C 2.022636 0.559042 0.000062 C -2.371144 -0.839475 -0.000055 H -0.465854 2.974114 -0.000110 H -3.035738 1.259615 -0.000098 H 2.037701 2.728959 -0.000018 H 3.113593 0.480965 0.000104 H -3.233745 -1.500478 -0.000077