%chk=000152512.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000152512 0 1 S 1.803400 0.5906000 1.2000001E-03 S -3.586000 -3.5200000E-02 -2.8899999E-02 O 3.011600 -0.5101000 4.5499999E-02 O 1.736400 1.171400 -1.327800 O 1.870100 1.420100 1.191000 O -4.517700 -1.373000 2.7400000E-02 O -3.646500 0.5192000 -1.369300 O -3.866600 0.7772000 1.141300 C -0.8763000 0.1458000 1.3600000E-02 C 0.4661000 -0.5462000 0.1845000 C -2.026800 -0.8312000 0.1918000 C 4.354400 -6.5499999E-02 -6.9600001E-02 C 5.278000 -1.263000 -6.0000003E-04 H -0.9691000 0.9645000 0.7380000 H -0.9310000 0.6104000 -0.9783000 H 0.5525000 -1.002500 1.175700 H 0.5906000 -1.323600 -0.5767000 H -1.960400 -1.631700 -0.5525000 H -2.018200 -1.274800 1.192300 H 4.486000 0.4546000 -1.024100 H 4.580000 0.6292000 0.7461000 H 6.323800 -0.9554000 -8.6499996E-02 H 5.143700 -1.799400 0.9445000 H 5.050800 -1.971800 -0.8038000 H -4.457200 -1.965700 -0.7584000 %chk=000152512-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000152512 0 1 S 1.867786 0.754875 0.015672 S -3.705655 -0.135076 -0.244090 O 3.176731 -0.555250 -0.228104 O 1.619838 1.602484 -1.340564 O 2.148342 1.532761 1.410305 O -4.598923 -1.696524 0.241612 O -3.950600 0.176507 -1.811042 O -3.958356 1.020967 0.856651 C -0.893478 0.120981 -0.043709 C 0.458648 -0.551070 0.222598 C -1.982696 -0.954103 0.036154 C 4.565262 -0.061901 -0.006456 C 5.438504 -1.319583 -0.005816 H -1.085968 0.911063 0.705689 H -0.884901 0.591922 -1.044354 H 0.603440 -0.911951 1.252465 H 0.730039 -1.321796 -0.515736 H -1.939483 -1.714413 -0.759066 H -2.093981 -1.415881 1.029413 H 4.845563 0.626478 -0.825453 H 4.615697 0.470555 0.962341 H 6.495545 -1.029540 0.139859 H 5.146901 -2.001235 0.810802 H 5.353844 -1.857965 -0.964629 H -5.580500 -1.548403 0.121855