%chk=000219267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219267

0 1
O 3.225487 1.320080 0.942406
O 1.789973 -1.797821 0.329381
O -1.158079 -2.324240 0.238908
O 1.708824 1.784376 -0.681461
N -1.233914 -0.165644 1.080871
C -0.308154 0.968911 1.350718
C 1.112876 0.370528 1.225508
C -2.691714 0.071603 0.984212
C 0.925359 -1.043942 0.652373
C -3.082496 0.761723 -0.331560
C -0.607746 -1.308286 0.587738
C -4.596779 1.000316 -0.393495
C 1.998445 1.226410 0.348608
C -5.000659 1.687896 -1.695050
C 4.291651 2.026824 0.219762
C 4.815013 1.151763 -0.896611
H -0.492380 1.370934 2.368990
H -0.467910 1.797897 0.622154
H 1.589744 0.263945 2.238229
H -3.011221 0.675727 1.861470
H -3.200004 -0.921403 1.063704
H -2.763501 0.138703 -1.192430
H -2.542851 1.721072 -0.445620
H -4.921573 1.614608 0.469173
H -5.134672 0.035142 -0.301085
H -6.083730 1.851827 -1.736682
H -4.516623 2.664878 -1.806883
H -4.728404 1.086893 -2.571246
H 3.889549 2.990259 -0.139300
H 5.019688 2.178909 1.038069
H 5.736615 1.558485 -1.330004
H 5.034296 0.133839 -0.543371
H 4.082191 1.055087 -1.712173


%chk=000219267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219267

0 1
O 3.369973 1.249805 1.033057
O 1.920917 -1.620515 0.308952
O -1.017887 -2.312803 0.177618
O 1.870057 2.122951 -0.535224
N -1.197948 -0.050254 0.864467
C -0.346118 1.125624 1.146781
C 1.095656 0.569194 1.217227
C -2.664391 0.038592 0.845322
C 0.983208 -0.869784 0.627743
C -3.219210 0.803316 -0.381337
C -0.517040 -1.207021 0.516937
C -4.762370 0.884655 -0.351061
C 2.117086 1.410826 0.466700
C -5.338151 1.642518 -1.566350
C 4.525584 1.874872 0.306185
C 5.021264 0.944174 -0.802332
H -0.658437 1.600928 2.094539
H -0.420281 1.872692 0.334732
H 1.441477 0.447667 2.260034
H -3.002861 0.529946 1.780163
H -3.043415 -0.999757 0.842133
H -2.888696 0.289509 -1.304370
H -2.799793 1.829125 -0.413011
H -5.086972 1.384297 0.584837
H -5.182133 -0.140925 -0.320945
H -6.441424 1.689924 -1.523950
H -4.956264 2.680036 -1.606194
H -5.057368 1.144841 -2.513077
H 4.198425 2.850870 -0.093392
H 5.275738 2.016958 1.099821
H 5.933744 1.368491 -1.260660
H 5.264449 -0.052615 -0.397854
H 4.260481 0.829161 -1.592187


