%chk=000183291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183291

0 1
O -0.089975 -3.967281 1.669528
N -3.093612 0.333130 -0.114974
N 1.483883 1.179983 0.751078
N 4.148634 -0.783391 0.263972
N 0.184989 2.952684 -0.183581
C 3.446843 1.369887 -0.854728
C -0.869916 0.803282 0.242058
C -2.133921 1.348356 -0.179763
C 2.771814 1.844427 0.456648
C -1.078009 -0.580426 0.578653
C -2.469283 -0.863136 0.346009
C 0.277313 1.647295 0.241933
C 3.549123 -0.170282 -0.968158
C -2.229035 2.702248 -0.587298
C 2.714346 1.914700 -2.083130
C -0.226851 -1.591761 1.038872
C -3.005290 -2.139688 0.560838
C -4.520864 0.450073 -0.431479
C -1.035143 3.430833 -0.562018
C -0.785632 -2.853054 1.241562
C -3.502472 3.340587 -1.024161
C -2.155534 -3.140812 1.009460
C 5.585983 -0.403365 0.415528
C 4.026548 -2.272964 0.198768
C 1.290979 -3.784562 2.059181
H 4.483752 1.793324 -0.847703
H 3.445078 1.624518 1.318837
H 2.624485 2.949813 0.423897
H 4.110058 -0.425151 -1.893317
H 2.530376 -0.598060 -1.100474
H 1.563295 0.168151 0.901342
H 3.260262 1.715213 -3.009093
H 2.567459 3.000950 -2.005770
H 1.709176 1.485998 -2.184444
H 0.819884 -1.379293 1.233309
H -4.057956 -2.344399 0.382298
H -5.007617 1.200895 0.217769
H -4.664943 0.750013 -1.485616
H -5.037236 -0.513441 -0.279714
H -1.022841 4.485136 -0.870254
H -3.361037 4.397304 -1.291505
H -3.918428 2.843564 -1.910692
H -4.257174 3.316588 -0.226437
H -2.515813 -4.150459 1.192671
H 5.665941 0.692757 0.494823
H 6.240988 -0.736192 -0.402619
H 5.969353 -0.822094 1.359656
H 4.550666 -2.721418 1.057435
H 4.423869 -2.731946 -0.718395
H 2.957752 -2.549660 0.290566
H 1.589047 -4.806296 2.324331
H 1.353055 -3.118318 2.925301
H 1.885634 -3.403763 1.215201


%chk=000183291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183291

0 1
O -0.169845 -3.995726 2.092342
N -3.131062 0.243360 -0.059560
N 1.541686 1.062716 0.362760
N 3.959273 -0.822740 0.013205
N 0.174533 2.838862 -0.358955
C 3.699943 1.572550 -0.865516
C -0.883316 0.705801 0.162394
C -2.158602 1.247873 -0.233346
C 2.766740 1.867890 0.348727
C -1.102619 -0.658413 0.616837
C -2.506729 -0.909312 0.460466
C 0.279635 1.538598 0.054059
C 3.785764 0.056450 -1.177785
C -2.277767 2.599242 -0.680771
C 3.242304 2.322552 -2.138529
C -0.273862 -1.678338 1.161440
C -3.093210 -2.143079 0.813069
C -4.573973 0.286294 -0.305786
C -1.059969 3.316090 -0.693952
C -0.869375 -2.908573 1.525185
C -3.553860 3.299566 -1.110130
C -2.261684 -3.144208 1.345821
C 5.232660 -0.572255 0.727398
C 3.844874 -2.249557 -0.371858
C 1.254338 -3.812791 2.359730
H 4.709764 1.944673 -0.591313
H 3.315853 1.666159 1.288836
H 2.469405 2.929550 0.338337
H 4.607294 -0.108804 -1.922597
H 2.840870 -0.246224 -1.669614
H 1.684025 0.073208 0.565335
H 3.857816 2.040768 -3.014786
H 3.319537 3.415592 -2.000824
H 2.185196 2.095358 -2.364242
H 0.795919 -1.519667 1.322616
H -4.165032 -2.327465 0.690155
H -5.139190 0.188388 0.641301
H -4.855336 1.231059 -0.782987
H -4.872230 -0.542003 -0.975949
H -1.076256 4.368091 -1.009417
H -3.326122 4.346914 -1.376988
H -4.019202 2.835365 -2.001974
H -4.315400 3.329718 -0.306642
H -2.662012 -4.117814 1.643228
H 5.273068 0.468626 1.088408
H 6.130831 -0.750559 0.084193
H 5.300635 -1.238922 1.605643
H 3.938700 -2.887461 0.525951
H 4.631025 -2.568230 -1.101345
H 2.857756 -2.435243 -0.832617
H 1.586148 -4.755232 2.820708
H 1.431260 -2.972568 3.060504
H 1.821804 -3.635632 1.425035


