%chk=000104606.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104606 0 1 Cl 1.989800 2.600300 3.9999999E-04 F 1.606500 -2.458400 7.9999998E-04 F 3.065200 -0.1612000 -6.9999998E-04 O -3.130100 -1.004100 -5.0000002E-04 O -3.045700 1.189600 3.0000001E-04 N -2.480400 6.9399998E-02 -1.9999999E-04 C -1.061400 1.4800000E-02 1.9999999E-04 C -0.3176000 1.194800 0.000000 C -0.4113000 -1.219300 9.9999997E-05 C 1.076200 1.140800 -9.9999997E-05 C 0.9826000 -1.273400 -9.9999997E-05 C 1.726300 -9.3300000E-02 -9.9999997E-05 H -0.8042000 2.167900 0.000000 H -0.9575000 -2.158900 3.0000001E-04 %chk=000104606-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000104606 0 1 Cl 2.065170 2.664646 0.000035 F 1.651927 -2.500703 0.000184 F 3.123720 -0.166884 0.000260 O -3.167417 -1.049806 0.000438 O -3.080699 1.231652 0.000523 N -2.525750 0.068210 -0.000358 C -1.040663 0.010231 -0.000200 C -0.318477 1.221796 -0.000156 C -0.417715 -1.255433 -0.000093 C 1.085352 1.157554 -0.000016 C 0.980768 -1.282080 0.000048 C 1.741434 -0.091125 0.000105 H -0.851137 2.175332 -0.000238 H -1.008113 -2.174390 -0.000133