%chk=000031969.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000031969 0 1 O 2.263000 -1.621100 -4.9000001E-03 O 4.521200 -0.2457000 1.4100000E-02 N -0.8335000 1.739000 -1.9999999E-04 C -0.4916000 -0.4656000 -1.3000000E-03 C -1.478400 0.5227000 6.0000003E-04 C 0.7660000 0.2001000 -2.0999999E-03 C 0.5230000 1.554300 -2.0000001E-03 C -0.8864000 -1.818200 -1.5000000E-03 C -2.845700 0.2247000 2.9000000E-03 C -1.479500 3.034000 7.9999998E-04 C 2.077700 -0.3833000 -4.1000000E-03 C -2.250700 -2.131200 1.0000000E-03 C -3.213400 -1.123800 3.1000001E-03 C 3.328300 0.5142000 -6.3999998E-03 H 1.195400 2.402300 -3.1000001E-03 H -0.1554000 -2.621100 -3.0000000E-03 H -3.600300 1.004100 4.4000000E-03 H -0.7229000 3.822700 -5.0000002E-04 H -2.096700 3.112000 -0.8979000 H -2.093700 3.112100 0.9015000 H -2.561200 -3.172700 1.2000001E-03 H -4.267500 -1.389600 4.9000001E-03 H 3.316200 1.167200 0.8714000 H 3.329100 1.120200 -0.9169000 H 4.545200 -0.7260000 0.8593000 %chk=000031969-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000031969 0 1 O 2.339492 -1.625651 0.113461 O 4.597220 -0.253262 0.154846 N -0.854625 1.798626 -0.005017 C -0.463978 -0.467498 0.035239 C -1.489306 0.535587 -0.003240 C 0.816225 0.232988 0.056586 C 0.518002 1.611032 0.031003 C -0.831756 -1.835951 0.045423 C -2.864122 0.219866 -0.031590 C -1.555580 3.085485 -0.042897 C 2.142750 -0.362419 0.096863 C -2.203629 -2.160452 0.017215 C -3.206664 -1.148381 -0.020706 C 3.392967 0.544911 0.119320 H 1.193246 2.465797 0.035677 H -0.057123 -2.606505 0.074116 H -3.638263 0.993893 -0.061038 H -0.820666 3.905486 -0.036211 H -2.168275 3.168739 -0.958551 H -2.214959 3.196230 0.836694 H -2.509788 -3.212281 0.024369 H -4.262931 -1.438431 -0.041889 H 3.349375 1.203166 1.012084 H 3.392171 1.188123 -0.785721 H 4.288418 -1.207798 0.155264