%chk=000081351.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081351 0 1 O 1.752400 -0.3182000 -1.786100 N 2.322200 0.2658000 0.4045000 C 1.6500000E-02 -0.2720000 -0.2807000 C -2.204600 0.6519000 -5.7300001E-02 C -0.8558000 0.8125000 -0.3743000 C 1.422900 -0.1060000 -0.6116000 C -0.4599000 -1.517000 0.1299000 C -2.681000 -0.5930000 0.3535000 C -1.808800 -1.677400 0.4470000 C 3.746700 0.4360000 0.1550000 C 1.887200 0.5063000 1.778700 C -3.137600 1.811200 -0.1585000 H -0.4828000 1.783300 -0.6928000 H 0.2109000 -2.368900 0.2068000 H -3.729300 -0.7307000 0.6050000 H -2.179600 -2.646700 0.7674000 H 4.302800 -0.2604000 0.7888000 H 4.028500 1.464200 0.3990000 H 3.988100 0.2378000 -0.8923000 H 2.154700 1.532300 2.049900 H 2.420900 -0.1880000 2.435100 H 0.8171000 0.3765000 1.937500 H -2.842200 2.484700 -0.9703000 H -4.159500 1.480400 -0.3731000 H -3.141800 2.373000 0.7808000 %chk=000081351-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000081351 0 1 O 1.647175 0.889134 -1.599341 N 2.425352 0.163726 0.474386 C -0.019776 0.076111 -0.053081 C -2.407823 0.689985 -0.215742 C -1.041519 0.970447 -0.458057 C 1.400818 0.411368 -0.442505 C -0.374445 -1.147402 0.571549 C -2.741505 -0.535670 0.418571 C -1.734212 -1.450124 0.799629 C 3.819638 0.345604 0.034335 C 2.243041 -0.061271 1.917481 C -3.487648 1.678751 -0.620132 H -0.750442 1.884560 -0.988085 H 0.400329 -1.872516 0.844351 H -3.795557 -0.779234 0.600097 H -2.009426 -2.403898 1.263590 H 4.425121 -0.536020 0.317711 H 4.268972 1.246518 0.497559 H 3.827264 0.471652 -1.058503 H 2.852942 0.669776 2.484127 H 2.565910 -1.078391 2.216115 H 1.190225 0.072261 2.203561 H -3.209190 2.226834 -1.537263 H -4.452041 1.173066 -0.802399 H -3.655204 2.432334 0.173947