%chk=000111309.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111309 0 1 O -1.228000 0.9222000 0.3559000 O -2.368900 -0.3810000 -1.166300 N 1.808700 -0.2359000 1.021200 N -1.980500 -2.497500 0.5640000 N 2.915400 0.7020000 -0.6605000 C -0.9943000 -1.414400 0.5603000 C 0.3123000 -1.884800 -9.4499998E-02 C 1.372600 -0.8073000 -0.1149000 C -1.615300 -0.2604000 -0.2086000 C 2.040900 -0.2414000 -1.139000 C 2.750300 0.6806000 0.6435000 C -1.767800 2.101400 -0.2487000 C -1.245500 3.316600 0.4878000 H -0.8301000 -1.108200 1.600200 H 0.1224000 -2.206900 -1.127300 H 0.7123000 -2.754700 0.4425000 H 1.512700 -0.4352000 1.968100 H -2.809500 -2.203300 1.079500 H -1.603600 -3.299600 1.067700 H 1.958100 -0.4427000 -2.197000 H -1.460700 2.145500 -1.299600 H -2.861500 2.074300 -0.1897000 H 3.274400 1.294700 1.361800 H -1.638200 4.238400 4.9800001E-02 H -1.529200 3.277900 1.544700 H -0.1513000 3.346300 0.4536000 %chk=000111309-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000111309 0 1 O -1.385266 0.866131 0.551338 O -2.436681 -0.463854 -1.053925 N 1.900809 -0.181439 1.110199 N -2.054946 -2.628215 0.711832 N 2.587597 1.075116 -0.636961 C -1.104088 -1.516576 0.729177 C 0.284685 -1.856547 0.038083 C 1.264797 -0.721894 -0.021179 C -1.735826 -0.342956 -0.020364 C 1.710968 0.071330 -1.085132 C 2.679698 0.895337 0.694761 C -1.787134 2.111323 -0.185138 C -0.869134 3.227740 0.301327 H -0.908108 -1.195982 1.768807 H 0.067440 -2.195442 -0.990732 H 0.704587 -2.725853 0.584472 H 1.782008 -0.503767 2.069877 H -2.571974 -2.713567 -0.168534 H -1.710156 -3.513149 1.088767 H 1.454305 -0.020955 -2.138433 H -1.689403 1.919643 -1.267988 H -2.851130 2.300733 0.045210 H 3.282785 1.493664 1.373711 H -1.135919 4.174041 -0.204137 H -0.968218 3.377619 1.390307 H 0.184002 2.994119 0.069156