%chk=000096716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000096716

0 1
O -1.059413 -2.066997 1.258931
N -0.580226 0.656784 -0.690870
N 2.957365 0.590285 0.162348
N -1.146954 -2.413972 -0.964377
C 0.208913 -0.451909 -0.098252
C 0.837062 -0.073845 1.262648
C 1.346531 -0.829284 -1.083548
C 1.891806 1.030723 1.116286
C 2.387084 0.299049 -1.188982
C -1.582386 1.355990 0.171924
C -0.690579 -1.709530 0.152769
C -2.846299 0.529677 0.445527
C -1.938896 2.671414 -0.538081
H 1.305834 -0.979987 1.703782
H 0.053234 0.231395 1.983395
H 0.955590 -1.052834 -2.091006
H 1.847636 -1.749075 -0.716498
H 1.399077 1.978574 0.804621
H 2.378310 1.213571 2.099302
H 3.224292 -0.025919 -1.843811
H 1.915611 1.190008 -1.661645
H -1.002776 0.371317 -1.578407
H 3.660664 1.333379 0.077157
H -1.088810 1.595041 1.151849
H -3.612068 1.131591 0.946402
H -3.296004 0.134802 -0.469837
H -2.637963 -0.325287 1.105399
H -1.033569 3.230252 -0.807257
H -2.546835 3.311548 0.109181
H -2.504042 2.503823 -1.460525
H -1.701277 -3.246206 -0.825666
H -0.791212 -2.272577 -1.890359


%chk=000096716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096716

0 1
O -1.341292 -1.624900 1.552799
N -0.626819 0.608389 -0.586186
N 2.952532 0.623781 -0.083422
N -0.863797 -2.708910 -0.431104
C 0.217067 -0.468918 0.009980
C 0.972176 0.046227 1.270230
C 1.268881 -0.883733 -1.062267
C 1.995797 1.143132 0.923454
C 2.281240 0.247755 -1.345498
C -1.785559 1.189308 0.154795
C -0.698854 -1.655973 0.456996
C -3.136484 0.626863 -0.355914
C -1.752949 2.731977 0.049714
H 1.503903 -0.810519 1.725137
H 0.247023 0.407413 2.019564
H 0.768540 -1.154380 -2.017802
H 1.827401 -1.765566 -0.695704
H 1.449370 2.046603 0.561390
H 2.557066 1.421125 1.834673
H 3.042700 -0.114559 -2.061531
H 1.739081 1.102453 -1.816419
H -0.864448 0.406175 -1.566963
H 3.741368 1.264538 -0.239779
H -1.679524 0.896520 1.214698
H -3.984489 1.070744 0.197621
H -3.275639 0.865817 -1.429779
H -3.181341 -0.468197 -0.225911
H -0.795769 3.124379 0.435886
H -2.581228 3.187866 0.624686
H -1.849844 3.052186 -1.005392
H -1.509704 -3.455737 -0.174035
H -0.326708 -2.790056 -1.291516


