%chk=000161241.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000161241 0 1 P 0.5106000 6.8099998E-02 -0.7557000 O 0.3347000 -1.537700 -0.6390000 O 1.899400 0.3270000 3.6400001E-02 O 0.4911000 0.5938000 -2.162400 N -2.022300 0.3887000 -0.3396000 N -3.053500 0.7663000 0.2458000 N -3.995000 1.115100 0.7868000 C -0.7583000 0.7513000 0.2970000 C 0.4660000 -2.154100 0.6299000 C 2.280000 1.657200 0.3419000 C 0.2653000 -3.624200 0.4922000 C 3.581900 1.648400 1.066700 H -0.7015000 0.3758000 1.322400 H -0.6648000 1.841900 0.3291000 H 1.461500 -1.951000 1.036000 H -0.2812000 -1.753200 1.318700 H 2.361300 2.227400 -0.5889000 H 1.516000 2.123000 0.9701000 H 0.3609000 -4.129300 1.457800 H -0.7247000 -3.846500 7.9700001E-02 H 0.9968000 -4.055200 -0.1997000 H 3.902900 2.663800 1.316700 H 3.509500 1.068000 1.992800 H 4.362600 1.175600 0.4612000 %chk=000161241-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000161241 0 1 P 0.166373 0.512565 -0.260481 O 0.194594 -1.198831 -0.553916 O 1.567967 0.866066 0.716535 O 0.023937 1.331626 -1.614881 N -2.383827 0.068920 0.935622 N -3.238667 0.438397 0.068372 N -4.162412 0.609084 -0.653798 C -1.138342 0.837874 1.100066 C 0.274571 -2.146272 0.599475 C 2.845567 1.230693 0.030030 C 0.410773 -3.538933 -0.008827 C 3.770049 1.793860 1.105091 H -0.689002 0.514277 2.048963 H -1.286137 1.933691 1.115460 H 1.148299 -1.884975 1.227737 H -0.652513 -2.058586 1.199683 H 3.266312 0.320460 -0.437653 H 2.626579 1.971257 -0.761764 H 0.457948 -4.298804 0.793359 H -0.454060 -3.763513 -0.655199 H 1.328008 -3.610469 -0.617276 H 4.742507 2.069126 0.656419 H 3.330093 2.694912 1.565141 H 3.950583 1.047775 1.897740