%chk=000060361.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000060361 0 1 O 1.674100 0.6712000 1.084400 O -1.676500 -0.7465000 1.043500 N 6.541000 -0.4477000 -1.362300 N -6.535300 0.5434000 -1.334000 C 0.6856000 -0.3575000 1.064600 C -0.6910000 0.2785000 1.084000 C 2.865200 0.3974000 0.4855000 C -2.873500 -0.4288000 0.4577000 C 3.343000 -0.9125000 0.4494000 C -3.337100 0.8811000 0.5056000 C 3.608200 1.426900 -9.2000000E-02 C -3.612800 -1.419400 -0.1786000 C 5.306900 -0.1636000 -0.7416000 C -5.303200 0.2160000 -0.7309000 C 4.563900 -1.193100 -0.1641000 C -4.556100 1.204500 -9.0700001E-02 C 4.829100 1.146400 -0.7056000 C -4.831600 -1.096200 -0.7749000 H 0.7542000 -0.9798000 0.1620000 H 0.8104000 -1.006200 1.939900 H -0.7570000 0.9538000 0.2201000 H -0.8130000 0.8748000 1.996200 H 2.809700 -1.738400 0.9109000 H -2.800800 1.673800 1.018100 H 3.240900 2.449200 -6.7100003E-02 H -3.248800 -2.442300 -0.2152000 H 4.928700 -2.217000 -0.1807000 H -4.916100 2.229200 -4.4599999E-02 H 5.398700 1.957300 -1.152300 H -5.404500 -1.875500 -1.270900 H 6.888000 -1.397400 -1.388100 H 7.080700 0.2983000 -1.780800 H -6.877800 1.494500 -1.301900 H -7.077900 -0.1728000 -1.797900 %chk=000060361-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000060361 0 1 O 1.669734 0.735521 -0.064036 O -1.669025 -0.730340 -0.112932 N 7.213762 -0.433532 -0.097425 N -7.212698 0.440360 -0.071082 C 0.681164 -0.343873 -0.103130 C -0.680348 0.349085 -0.080145 C 3.033224 0.359009 -0.075083 C -3.032505 -0.353418 -0.099621 C 3.501276 -0.975235 -0.117408 C -3.500039 0.981042 -0.058926 C 3.964481 1.423884 -0.040252 C -3.964086 -1.418129 -0.130152 C 5.836330 -0.176432 -0.089895 C -5.835361 0.182841 -0.080173 C 4.889757 -1.236113 -0.124389 C -4.888427 1.242325 -0.049514 C 5.345724 1.162520 -0.047410 C -5.345231 -1.156353 -0.120585 H 0.790561 -0.947245 -1.026779 H 0.787115 -1.010738 0.776276 H -0.789197 1.012805 -0.961546 H -0.786597 0.955842 0.841705 H 2.805324 -1.819239 -0.145211 H -2.803768 1.824873 -0.033820 H 3.587757 2.451224 -0.007726 H -3.587685 -2.445633 -0.161236 H 5.239364 -2.275473 -0.157238 H -5.237676 2.281842 -0.017872 H 6.053476 2.000293 -0.019860 H -6.053286 -1.993979 -0.144565 H 7.565823 -1.385014 -0.125683 H 7.884634 0.327628 -0.072081 H -7.564438 1.391952 -0.042488 H -7.883837 -0.320699 -0.092019