%chk=000154917.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000154917 0 1 O 2.143900 0.8833000 -0.9320000 N 1.242100 -1.109800 -0.1473000 C 0.1019000 -1.164800 -1.033500 C -1.100000 -0.4753000 -0.4447000 C 3.256900 -0.2854000 0.8696000 C 2.173100 -8.1600003E-02 -0.1729000 C -1.992100 -1.201200 0.3323000 C -1.299500 0.8767000 -0.6874000 C 4.308500 0.8087000 0.8395000 C -3.105700 -0.5623000 0.8775000 C -2.413000 1.515600 -0.1419000 C -3.316100 0.7961000 0.6406000 H -0.1160000 -2.221500 -1.225700 H 0.3665000 -0.7139000 -1.997400 H 1.346300 -1.855500 0.5349000 H 2.785200 -0.3150000 1.858400 H 3.733000 -1.256300 0.6917000 H -1.836400 -2.259100 0.5246000 H -0.6056000 1.447200 -1.297700 H 3.861100 1.789500 1.032100 H 5.071600 0.6253000 1.602200 H 4.803200 0.8517000 -0.1364000 H -3.808800 -1.122400 1.487200 H -2.577400 2.573000 -0.3271000 H -4.183200 1.293500 1.065300 %chk=000154917-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000154917 0 1 O 2.499067 0.628401 -1.383764 N 1.259382 -0.627667 0.133920 C 0.157388 -0.911412 -0.802880 C -1.199405 -0.444274 -0.286756 C 3.389028 0.368401 0.895313 C 2.362085 0.137825 -0.220594 C -2.295185 -1.339478 -0.223831 C -1.389979 0.902208 0.119439 C 4.836345 0.210733 0.379037 C -3.560155 -0.901388 0.233327 C -2.650461 1.341943 0.577668 C -3.741009 0.440876 0.636266 H 0.121909 -1.995414 -1.027251 H 0.432084 -0.386519 -1.737669 H 1.188021 -0.986880 1.087460 H 3.246457 1.404041 1.262907 H 3.202466 -0.306615 1.752909 H -2.159885 -2.383062 -0.535449 H -0.548000 1.602785 0.068177 H 4.985454 0.847488 -0.509008 H 5.564311 0.505032 1.155706 H 5.044996 -0.833708 0.085847 H -4.399289 -1.604928 0.276153 H -2.786373 2.385428 0.883832 H -4.719749 0.782682 0.991142