%chk=000152170.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000152170 0 1 O -1.056700 -3.186200 -6.9999998E-04 C 0.4508000 -6.8999998E-02 3.9999999E-04 C -0.8582000 0.2708000 3.0000001E-04 C 0.6104000 -1.435000 1.9999999E-04 C 1.481000 0.8631000 9.9999997E-05 C -1.662100 -0.8452000 1.9999999E-04 C -1.305000 1.586300 9.9999997E-05 C -0.7531000 -2.015500 9.9999997E-05 C 2.779300 0.3084000 9.9999997E-05 C 1.081100 2.225700 0.000000 C 1.870600 -1.987100 9.9999997E-05 C -0.2931000 2.582300 -9.9999997E-05 C -3.031800 -0.7147000 0.000000 C 2.961400 -1.098000 9.9999997E-05 C -2.709300 1.733100 -1.9999999E-04 C -3.552500 0.5928000 -9.9999997E-05 C 3.987200 1.188400 -5.0000002E-04 H 1.825000 3.018700 -1.9999999E-04 H 2.026500 -3.059400 0.000000 H -0.5672000 3.634800 -3.9999999E-04 H -3.689600 -1.575600 -9.9999997E-05 H 3.966500 -1.515700 0.000000 H -3.155800 2.724200 -3.9999999E-04 H -4.630900 0.7348000 -1.9999999E-04 H 4.915500 0.6072000 3.0000001E-04 H 3.997600 1.820800 -0.8942000 H 3.997200 1.822500 0.8919000 %chk=000152170-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000152170 0 1 O -1.114546 -3.325087 0.000126 C 0.471394 -0.104873 0.000030 C -0.903977 0.257056 0.000036 C 0.617781 -1.515335 0.000037 C 1.508750 0.849526 -0.000114 C -1.729878 -0.895429 0.000032 C -1.338706 1.598715 -0.000075 C -0.792037 -2.109516 -0.000043 C 2.849942 0.309077 -0.000173 C 1.074464 2.239900 -0.000226 C 1.917104 -2.032958 0.000015 C -0.280743 2.597413 -0.000174 C -3.116709 -0.711933 -0.000028 C 3.009982 -1.099028 -0.000063 C -2.765724 1.769000 -0.000083 C -3.612841 0.639107 -0.000086 C 4.058597 1.224637 -0.000334 H 1.824636 3.039138 -0.000342 H 2.108038 -3.111318 0.000035 H -0.547578 3.661299 -0.000219 H -3.809957 -1.559666 -0.000049 H 4.032260 -1.495504 -0.000027 H -3.206639 2.773149 -0.000142 H -4.696925 0.799852 -0.000119 H 4.999235 0.648739 0.000473 H 4.064792 1.882580 -0.890544 H 4.064084 1.883958 0.888855