%chk=000157751.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000157751 0 1 S 0.000000 0.8954000 9.9999997E-05 S -5.221300 -0.2864000 3.9999999E-04 S 5.220900 -0.2864000 -1.9999999E-04 C -1.230400 -0.2961000 -1.9999999E-04 C 1.230000 -0.2959000 0.000000 C -2.670400 1.9600000E-02 -3.0000001E-04 C 2.671100 1.9900000E-02 1.9999999E-04 C -0.7118000 -1.572900 -9.9999997E-05 C 0.7129000 -1.572800 0.000000 C -3.225900 1.331700 -3.9999999E-04 C 3.225600 1.331800 3.0000001E-04 C -3.644600 -0.9545000 1.9999999E-04 C 3.644200 -0.9544000 -9.9999997E-05 C -4.603200 1.310500 9.9999997E-05 C 4.602900 1.310500 0.000000 H -1.297500 -2.483300 -1.9999999E-04 H 1.298900 -2.482900 9.9999997E-05 H -2.666100 2.258500 -6.0000003E-04 H 2.665800 2.258500 3.9999999E-04 H -3.537200 -2.030100 5.0000002E-04 H 3.536600 -2.029900 -3.0000001E-04 H -5.276200 2.156300 1.9999999E-04 H 5.275800 2.156300 -9.9999997E-05 %chk=000157751-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000157751 0 1 S -0.000031 0.844406 0.000202 S -5.365674 -0.138744 0.000080 S 5.365699 -0.138439 -0.000153 C -1.298066 -0.423913 0.000038 C 1.298056 -0.423785 0.000017 C -2.707505 -0.040150 0.000046 C 2.707469 -0.039973 -0.000037 C -0.715342 -1.692678 0.000009 C 0.715420 -1.692621 -0.000021 C -3.179858 1.337343 -0.000110 C 3.179817 1.337541 0.000094 C -3.769664 -0.948722 0.000223 C 3.769708 -0.948498 -0.000201 C -4.554134 1.462747 -0.000053 C 4.554083 1.462998 0.000001 H -1.308678 -2.610375 -0.000046 H 1.308827 -2.610273 -0.000088 H -2.508827 2.200777 -0.000236 H 2.508768 2.200965 0.000226 H -3.734341 -2.036452 0.000413 H 3.734473 -2.036232 -0.000330 H -5.156994 2.368597 -0.000117 H 5.156895 2.368881 0.000041