%chk=000112331.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112331 1 1 O -1.722900 1.660100 -0.4258000 O 3.299500 1.300600 -0.1484000 N -2.654900 -0.9467000 -6.3500002E-02 N 3.729500 -0.9256000 0.1949000 N -3.723500 -1.166600 -7.3200002E-02 C 1.435700 -0.1336000 -2.1000000E-02 C -0.8445000 0.6364000 -0.2331000 C 0.5243000 0.9039000 -0.2180000 C -1.302100 -0.6685000 -5.0900001E-02 C 0.9781000 -1.438600 0.1610000 C -0.3908000 -1.706100 0.1461000 C 2.862900 0.1451000 -5.4000001E-03 C -2.191200 2.339600 0.7373000 H 0.8638000 1.926900 -0.3625000 H 1.626800 -2.291600 0.3194000 H -0.7403000 -2.725300 0.2888000 H -1.358600 2.820800 1.260200 H -2.706700 1.646800 1.409900 H -2.898500 3.111300 0.4216000 H 3.460900 -1.892400 0.3238000 H 4.730300 -0.7562000 0.2170000 %chk=000112331-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000112331 1 1 O -2.101303 1.278962 0.245203 O 2.936361 1.371324 0.813808 N -2.735635 -1.280514 -0.126604 N 3.742681 -0.672804 0.060321 N -3.873037 -1.493539 -0.217847 C 1.294213 -0.288082 0.216898 C -1.053949 0.411872 0.187486 C 0.315573 0.724383 0.304553 C -1.408691 -0.978041 -0.015323 C 0.921496 -1.657284 0.028616 C -0.422528 -2.012194 -0.088734 C 2.730767 0.196663 0.385127 C -1.847074 2.733786 0.462895 H 0.671175 1.744921 0.483308 H 1.671159 -2.452391 -0.000183 H -0.730355 -3.052501 -0.228928 H -1.243366 3.136355 -0.367594 H -1.346426 2.884660 1.433841 H -2.846998 3.185062 0.468589 H 3.600330 -1.592872 -0.352068 H 4.703408 -0.347464 0.184837