%chk=000289644.chk %nprocshared=4 %mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289644 0 1 O -2.366822 2.112944 -0.249138 O 0.656594 -0.089094 2.130699 O -3.714798 0.286064 -2.147039 O 1.917585 -2.465473 -1.614957 N -4.132698 0.889768 0.614072 N -0.932059 -0.476531 0.506089 N 1.330594 -1.294775 0.260370 C -1.936201 0.245871 1.325226 C -2.955995 -0.712889 1.979019 C -4.342352 -0.359378 1.400460 C -2.771759 1.202881 0.440051 C -5.123434 1.297185 -0.398811 C 0.404922 -0.575857 1.042998 C -1.266086 -1.015594 -0.744905 C -5.058207 0.438158 -1.677344 C 2.743265 -1.343539 0.757989 C -0.344742 -1.688042 -1.473103 C 1.030107 -1.876270 -1.036643 C 3.514779 -0.141695 0.272377 C 3.562624 1.022837 1.051456 C 4.177710 -0.189316 -0.962120 C 4.292064 2.127938 0.605013 C 4.905662 0.918754 -1.403223 C 4.967114 2.075719 -0.619157 H -1.389398 0.848412 2.109303 H -2.940292 -0.592382 3.078534 H -2.702658 -1.773198 1.795608 H -4.745056 -1.179924 0.772019 H -5.081381 -0.157748 2.204892 H -4.925869 2.370721 -0.647055 H -6.142993 1.255924 0.043467 H -2.303802 -0.858517 -1.099987 H -5.672583 0.881557 -2.482866 H -5.376722 -0.607463 -1.507500 H 3.202201 -2.292852 0.386181 H 2.732888 -1.394899 1.872408 H -0.585496 -2.112961 -2.449843 H -3.278309 1.169980 -2.248393 H 3.018922 1.067214 1.997005 H 4.110600 -1.087967 -1.579658 H 4.330746 3.031867 1.210111 H 5.422261 0.881326 -2.360602 H 5.535876 2.936943 -0.963903 %chk=000289644-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000289644 0 1 O -2.779522 2.170201 -0.619930 O 0.609883 0.058096 2.026101 O -4.172252 0.235401 -2.354968 O 1.861945 -2.420694 -1.770169 N -4.187031 0.643103 0.492276 N -0.945018 -0.213410 0.294240 N 1.245155 -1.160507 0.117570 C -1.904123 0.573344 1.118888 C -2.729580 -0.292663 2.112143 C -4.100589 -0.511447 1.413218 C -2.969771 1.246286 0.228075 C -5.375785 0.983097 -0.298163 C 0.336179 -0.411287 0.881592 C -1.277024 -0.759895 -0.943995 C -5.444469 0.187576 -1.626361 C 2.617737 -1.347818 0.688420 C -0.382323 -1.514486 -1.660554 C 0.967331 -1.754422 -1.168796 C 3.568993 -0.211410 0.328335 C 3.757222 0.875995 1.218801 C 4.283204 -0.237152 -0.897565 C 4.645653 1.924098 0.888343 C 5.169945 0.812006 -1.227536 C 5.354333 1.894524 -0.335247 H -1.305284 1.329482 1.649495 H -2.871261 0.271093 3.049362 H -2.221175 -1.237456 2.357517 H -4.136884 -1.466548 0.852168 H -4.942718 -0.499774 2.127799 H -5.311503 2.064114 -0.523623 H -6.286649 0.805048 0.302320 H -2.282053 -0.548005 -1.328789 H -6.275939 0.592012 -2.241042 H -5.634024 -0.884866 -1.448889 H 2.980169 -2.303797 0.276978 H 2.497695 -1.424485 1.780742 H -0.651645 -1.930374 -2.631385 H -3.813149 1.164138 -2.325858 H 3.194116 0.900545 2.158606 H 4.129067 -1.075887 -1.586161 H 4.785557 2.760632 1.582466 H 5.718007 0.784470 -2.176201 H 6.044386 2.706820 -0.591123