%chk=000122932.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000122932 0 1 O 2.207400 -2.383200 1.6600000E-02 O -2.233400 2.390400 -1.5000000E-02 O 4.967300 1.272300 -0.1949000 O -4.947900 -1.299200 0.1908000 N 1.822100 -8.5299999E-02 0.3379000 N -1.830600 9.7400002E-02 -0.3335000 N 3.873500 -0.7773000 -0.1743000 N -3.880000 0.7641000 0.1711000 C 0.4077000 -7.3600002E-02 0.6419000 C -0.4040000 0.1036000 -0.6379000 C 2.597800 1.133700 0.2980000 C -2.579500 -1.131100 -0.2984000 C 2.587600 -1.220600 5.6000002E-02 C -2.598900 1.223200 -5.5300001E-02 C 3.964600 0.5873000 -5.1700000E-02 C -3.953700 -0.6016000 4.8599999E-02 H 0.1505000 -1.029600 1.112300 H 0.2033000 0.7221000 1.366700 H -0.1579000 1.065500 -1.102100 H -0.1942000 -0.6861000 -1.367800 H 2.605200 1.607900 1.281700 H 2.226900 1.794300 -0.4880000 H -2.202100 -1.787000 0.4883000 H -2.578600 -1.604200 -1.282400 H 4.652600 -1.383500 -0.4044000 H -4.667100 1.360400 0.3995000 %chk=000122932-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000122932 0 1 O 2.182984 -2.375721 0.003656 O -2.185786 2.381675 -0.007538 O 5.156548 1.293135 -0.186330 O -5.150785 -1.293770 0.188155 N 1.867804 -0.042353 0.341061 N -1.864871 0.048384 -0.340624 N 3.943117 -0.751846 -0.169875 N -3.942079 0.753957 0.168464 C 0.436346 -0.085697 0.639330 C -0.433648 0.093944 -0.638721 C 2.697028 1.171639 0.304701 C -2.691619 -1.167466 -0.302541 C 2.598717 -1.191156 0.052417 C -2.598730 1.196127 -0.054586 C 4.102092 0.633877 -0.046637 C -4.097807 -0.632293 0.047827 H 0.218650 -1.065266 1.101628 H 0.188654 0.709204 1.365681 H -0.217187 1.074059 -1.100424 H -0.184399 -0.700211 -1.365391 H 2.725365 1.693407 1.280091 H 2.370328 1.898517 -0.462555 H -2.363320 -1.892498 0.465763 H -2.718441 -1.690681 -1.277205 H 4.694806 -1.404089 -0.393626 H -4.695165 1.405021 0.390980