%chk=000040532.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000040532 1 1 N 1.344100 -0.9168000 -9.9999997E-05 C 0.6861000 0.2479000 1.9999999E-04 C -0.7597000 0.1899000 1.9999999E-04 C 1.380600 1.446000 8.9999998E-04 C 2.682500 -0.9801000 -1.9999999E-04 C 0.6218000 -2.194500 -1.3000000E-03 C -1.456600 0.1627000 -1.207800 C -1.456700 0.1606000 1.208300 C 2.771800 1.410200 3.9999999E-04 C 3.434000 0.1864000 -1.9999999E-04 C -2.850300 0.1064000 -1.208000 C -2.850400 0.1043000 1.207900 C -3.547200 7.7100001E-02 -3.0000001E-04 H 0.8645000 2.401400 1.4000000E-03 H 3.151500 -1.956900 -6.9999998E-04 H -0.9282000 0.1844000 -2.158000 H -0.9285000 0.1804000 2.158600 H 1.324300 -3.033200 -1.8000000E-03 H 1.5200000E-02 -2.262200 0.9052000 H 1.5500000E-02 -2.260800 -0.9081000 H 3.339700 2.335800 6.0000003E-04 H 4.517900 0.1452000 -5.0000002E-04 H -3.392800 8.5000001E-02 -2.148600 H -3.393300 8.1200004E-02 2.148300 H -4.632400 3.3100002E-02 -5.0000002E-04 %chk=000040532-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000040532 1 1 N 1.413607 -0.977544 -0.000471 C 0.688820 0.208174 0.000008 C -0.804297 0.162186 -0.000036 C 1.399152 1.428860 0.000504 C 2.791934 -0.979079 -0.000401 C 0.686010 -2.287115 -0.001204 C -1.514246 0.160388 -1.229979 C -1.514249 0.157888 1.229934 C 2.810984 1.446650 0.000558 C 3.515518 0.219571 0.000126 C -2.926927 0.147854 -1.225111 C -2.926902 0.145410 1.225030 C -3.634392 0.136575 -0.000058 H 0.823818 2.357199 0.000895 H 3.284200 -1.953444 -0.000709 H -0.973995 0.186136 -2.183890 H -0.973982 0.181733 2.183883 H 1.418865 -3.107353 -0.001619 H 0.051248 -2.360049 0.894666 H 0.051344 -2.359034 -0.897226 H 3.351869 2.397658 0.000940 H 4.607150 0.184791 0.000177 H -3.471499 0.154883 -2.174580 H -3.471516 0.150583 2.174487 H -4.729114 0.130579 -0.000027