%chk=000188533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188533

0 1
O -3.151257 -1.666389 -0.304842
O 0.953204 -4.637426 -0.156358
N -1.381188 0.802432 -0.812799
N 3.274923 0.038061 -0.230658
N -1.108509 -1.681770 0.762327
C -2.247020 0.509091 0.379046
C 1.036999 0.492590 -0.468657
C 1.270474 -0.893522 -0.814830
C -3.672435 1.112459 0.416434
C 0.289374 -1.899224 -1.298732
C -0.457634 -2.649535 -0.167272
C -0.086882 1.358103 -0.436312
C 2.314099 1.047116 -0.093876
C -2.268574 -1.032371 0.231754
C 2.625476 -1.145268 -0.643859
C 0.481650 -3.555399 0.657128
C 0.076433 2.682725 -0.047441
C -4.472152 0.466204 1.554042
C -3.615213 2.632094 0.605224
C -2.016387 1.516901 -1.949591
C 2.474438 2.394163 0.301738
C 4.700098 0.135880 0.135215
C 1.348420 3.191940 0.313705
C 4.914405 -0.081248 1.631691
H -1.731344 0.805614 1.329382
H -4.189189 0.876006 -0.548349
H -0.461048 -1.395055 -1.950598
H 0.796774 -2.653295 -1.938827
H -1.262905 -3.282324 -0.632967
H 3.164667 -2.062970 -0.803237
H -0.414224 -1.052215 1.187322
H -0.023255 -3.956717 1.553924
H 1.416064 -3.042349 0.952339
H -0.779267 3.352611 -0.014292
H -3.988245 0.587650 2.527643
H -5.473428 0.904629 1.629554
H -4.610864 -0.611039 1.378289
H -3.096292 2.910787 1.528717
H -4.624061 3.057482 0.660592
H -3.099424 3.124741 -0.230373
H -2.862315 0.909222 -2.316816
H -1.282549 1.595031 -2.770191
H -2.384566 2.529912 -1.711720
H 3.449823 2.776400 0.581136
H 5.274249 -0.617684 -0.452561
H 5.081311 1.138401 -0.170764
H 1.423367 4.238396 0.608938
H 4.360942 0.652650 2.232405
H 5.974657 0.005487 1.895966
H 4.574130 -1.074932 1.951168
H 0.212651 -5.226744 -0.404356


%chk=000188533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188533

0 1
O -3.121750 -1.546439 -0.528963
O 1.156265 -4.416429 0.017953
N -1.441437 1.140642 -0.537985
N 3.290980 0.085007 -0.381881
N -1.162682 -1.517192 0.743589
C -2.398991 0.608842 0.471230
C 1.034715 0.572427 -0.384735
C 1.223920 -0.783733 -0.908345
C -3.836151 1.169227 0.352567
C 0.219630 -1.842037 -1.306676
C -0.479455 -2.536649 -0.085354
C -0.089801 1.442393 -0.143046
C 2.352892 1.067497 -0.037478
C -2.327195 -0.926493 0.246959
C 2.600393 -1.021964 -0.884892
C 0.490304 -3.353638 0.788203
C 0.149640 2.681386 0.497427
C -4.735166 0.553931 1.450772
C -3.838601 2.711489 0.426358
C -1.772333 1.021590 -1.969088
C 2.578998 2.316249 0.583141
C 4.741389 0.153838 -0.142122
C 1.453113 3.111255 0.867458
C 5.140746 -0.273203 1.287871
H -1.994125 0.869329 1.469087
H -4.238408 0.849241 -0.628847
H -0.578778 -1.430764 -1.948956
H 0.731797 -2.631938 -1.887137
H -1.272084 -3.200436 -0.481211
H 3.130685 -1.925396 -1.184703
H -0.534606 -0.893934 1.262699
H -0.057361 -3.765055 1.660806
H 1.320221 -2.722237 1.151182
H -0.711268 3.336103 0.670398
H -4.355070 0.804608 2.460995
H -5.764782 0.948891 1.373613
H -4.785222 -0.544338 1.355670
H -3.500604 3.060037 1.422313
H -4.858000 3.106497 0.261591
H -3.167906 3.152234 -0.332682
H -2.252128 0.051347 -2.211555
H -0.847647 1.114136 -2.562884
H -2.464117 1.827629 -2.292008
H 3.587219 2.654825 0.843957
H 5.237910 -0.496249 -0.884832
H 5.079820 1.187018 -0.342641
H 1.582270 4.085728 1.351197
H 4.659263 0.371311 2.043830
H 6.236015 -0.199615 1.416782
H 4.839055 -1.317078 1.483347
H 0.476827 -5.082588 -0.257574


