%chk=000065740.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000065740 0 1 S 1.860700 2.456600 7.2499998E-02 S -3.207900 0.6945000 -7.0200004E-02 O -3.6899999E-02 -3.734100 -4.1499998E-02 O 2.579100 2.472800 -1.392800 O -3.777500 0.2492000 1.394100 O 1.035100 3.647900 0.1613000 O 2.869900 2.166700 1.074400 O -3.321400 2.141100 -0.1524000 O -3.815000 -0.1610000 -1.074800 N -2.038200 -2.049900 -7.1900003E-02 C 1.251900 -0.2567000 2.7500000E-02 C 0.3185000 -1.320000 -6.8000001E-03 C 0.7846000 1.067600 3.0700000E-02 C -1.054800 -1.027500 -3.7000000E-02 C -1.501300 0.2942000 -3.3300001E-02 C -0.5834000 1.339800 3.9999999E-04 C 0.7858000 -2.644300 -1.0400000E-02 C 2.625200 -0.5493000 5.7399999E-02 C 2.153800 -2.916500 1.9500000E-02 C 3.071800 -1.871100 5.3399999E-02 H -0.9378000 2.364600 2.4000001E-03 H 3.403200 0.2033000 3.4499999E-02 H 2.523400 -3.938700 1.4500000E-02 H 4.136800 -2.084400 6.5499999E-02 H -3.024000 -1.831600 -5.9599999E-02 H -1.765500 -3.022300 -7.6399997E-02 H 0.4925000 -4.549600 -3.7700001E-02 H 1.971500 2.586400 -2.161200 H -3.378300 0.7184000 2.164100 %chk=000065740-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000065740 0 1 S 1.837933 2.513718 0.076110 S -3.297936 0.702636 0.024156 O -0.038826 -3.841424 -0.105479 O 2.448552 2.372205 -1.678920 O -3.472973 0.724589 1.875465 O 0.904796 3.826247 0.219161 O 3.129617 2.349501 1.042161 O -3.511085 2.206587 -0.523019 O -4.240598 -0.503578 -0.541389 N -2.036131 -2.162871 -0.142769 C 1.273850 -0.326967 0.014159 C 0.320940 -1.424121 -0.037129 C 0.741402 1.009409 0.032567 C -1.122561 -1.154998 -0.065503 C -1.516278 0.217282 -0.030926 C -0.613021 1.295036 0.012419 C 0.862959 -2.755766 -0.060796 C 2.676915 -0.596184 0.037918 C 2.241968 -3.000132 -0.039109 C 3.146708 -1.911133 0.010359 H -0.973816 2.331061 0.021051 H 3.383827 0.234145 0.093421 H 2.618271 -4.030436 -0.059650 H 4.223090 -2.107039 0.029450 H -3.034508 -1.929986 -0.250741 H -1.696826 -3.128280 -0.155632 H 0.438270 -4.706234 -0.113116 H 3.095482 3.122384 -1.828006 H -4.368221 1.120447 2.089984