%chk=000202818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202818

0 1
O 6.126956 0.787017 -0.652286
N 0.009827 -0.715444 0.240853
C -1.431895 -0.428983 0.556214
C -2.247684 -0.656668 -0.742161
C 0.937690 -0.293409 1.339489
C -1.899678 -1.367592 1.674434
C -3.665361 -0.180873 -0.594964
C 2.318158 -0.036788 0.791566
C -4.707062 -1.100841 -0.399772
C -3.958052 1.191338 -0.656067
C 2.913189 1.230944 0.923063
C 3.018648 -1.067659 0.151477
C -6.024067 -0.652255 -0.268208
C -5.276208 1.634048 -0.522963
C 4.190525 1.468633 0.428805
C 4.303091 -0.854785 -0.357778
C 4.875282 0.414356 -0.210707
C -6.312272 0.714584 -0.328902
C 6.931699 -0.211253 -1.323813
H -1.580137 0.632649 0.890661
H -2.211279 -1.733332 -1.010537
H -1.766531 -0.137080 -1.595987
H 0.279162 -0.245818 -0.631967
H 0.974638 -1.134151 2.073290
H 0.565860 0.591212 1.902982
H -1.435462 -1.119888 2.633787
H -1.641508 -2.410372 1.448675
H -2.986496 -1.312066 1.806182
H -4.490001 -2.166044 -0.350515
H -3.157869 1.911965 -0.808828
H 2.372437 2.037564 1.418008
H 2.550119 -2.048633 0.044362
H -6.828071 -1.370927 -0.118201
H -5.497461 2.698950 -0.571560
H 4.669905 2.439775 0.522662
H 4.829986 -1.663520 -0.851269
H -7.337728 1.061519 -0.226603
H 7.844865 0.353615 -1.552536
H 6.437309 -0.544585 -2.240626
H 7.145476 -1.044602 -0.648557


%chk=000202818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202818

0 1
O 6.458407 0.267347 -0.433799
N -0.006156 -0.088704 0.173808
C -1.449924 -0.078905 0.525572
C -2.253707 -0.341286 -0.783666
C 0.933320 0.332159 1.239403
C -1.763189 -1.137440 1.603148
C -3.757180 -0.186257 -0.617214
C 2.378557 0.304039 0.755775
C -4.611916 -1.317160 -0.566856
C -4.339027 1.102945 -0.487646
C 3.298837 1.307095 1.158186
C 2.846242 -0.737564 -0.080509
C -6.006836 -1.168425 -0.388696
C -5.731472 1.257869 -0.309047
C 4.645820 1.267346 0.751338
C 4.193545 -0.792013 -0.504221
C 5.097952 0.214515 -0.082214
C -6.571875 0.120764 -0.257665
C 6.974415 -0.799467 -1.292555
H -1.767328 0.921072 0.921098
H -1.998833 -1.356972 -1.139555
H -1.891953 0.372504 -1.553669
H 0.167646 0.449535 -0.688021
H 0.816735 -0.369281 2.088978
H 0.702788 1.350479 1.643171
H -1.278879 -0.898719 2.566701
H -1.403426 -2.128562 1.270878
H -2.850943 -1.192685 1.781938
H -4.180020 -2.320267 -0.670673
H -3.695649 1.990974 -0.535817
H 2.957753 2.129955 1.798721
H 2.135863 -1.506935 -0.401383
H -6.650369 -2.055079 -0.354896
H -6.162193 2.261420 -0.214520
H 5.360326 2.037230 1.058504
H 4.521282 -1.611490 -1.151476
H -7.652839 0.239026 -0.121907
H 8.040638 -0.566975 -1.431216
H 6.464556 -0.809377 -2.276089
H 6.869031 -1.792111 -0.812206


