%chk=000205974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205974

0 1
O 6.152101 -1.236426 -1.926099
O -1.724762 2.664775 1.288911
O -3.975395 2.579213 -1.122195
O -2.654353 -3.256109 1.124225
O -4.752914 -3.623641 0.312488
N 3.318621 0.111567 0.180197
N -0.279066 1.004607 0.523712
N -3.731978 -2.828983 0.545516
N -6.091001 -1.655347 -0.805246
C 0.926624 1.561024 1.177397
C 2.611575 1.079974 -0.694356
C 2.371934 -0.556036 1.106710
C 1.907824 2.169123 0.141489
C 1.660110 0.476107 2.006223
C 4.158343 -0.847867 -0.580211
C 5.498829 -0.231056 -1.034398
C 6.490875 0.039948 0.126179
C 7.425185 -1.200249 0.110971
C 7.506439 -1.518436 -1.394532
C -1.535914 1.569246 0.666803
C -2.667457 0.754575 0.090537
C -3.812342 1.294741 -0.618872
C -2.711735 -0.608880 0.428436
C -3.815657 -1.441586 0.135374
C -4.923783 0.472931 -0.888234
C -4.981717 -0.897940 -0.521178
C -2.861958 3.522386 -1.338630
H 0.550410 2.359148 1.841111
H 1.863309 0.554306 -1.349147
H 3.341788 1.553900 -1.373545
H 2.937030 -1.265870 1.737665
H 1.611187 -1.167803 0.547137
H 2.677708 2.745795 0.688126
H 1.365931 2.868675 -0.521782
H 2.421941 0.977334 2.632221
H 0.945789 -0.033467 2.679113
H 3.636026 -1.251056 -1.481240
H 4.382832 -1.712762 0.072262
H 5.320794 0.680735 -1.636365
H 5.949713 0.174743 1.077705
H 7.075107 0.957637 -0.069041
H 8.413468 -0.995541 0.557075
H 6.965284 -2.043817 0.657458
H 7.731257 -2.573200 -1.625438
H 8.250731 -0.866034 -1.898353
H -0.180859 0.163794 -0.049058
H -1.893732 -1.064720 0.994184
H -5.758687 0.925147 -1.432628
H -6.073331 -2.643344 -0.526693
H -6.897630 -1.234725 -1.260115
H -2.597862 4.022248 -0.395279
H -1.976345 3.001650 -1.748364
H -3.252985 4.237066 -2.078721


%chk=000205974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205974

0 1
O 6.046306 -0.696757 -2.180504
O -1.561951 2.660568 0.997776
O -3.400765 2.288825 -1.690324
O -3.413202 -2.979209 1.914965
O -5.392284 -3.268917 0.821662
N 3.291769 0.137145 0.269286
N -0.309742 0.707181 0.859892
N -4.306074 -2.570734 1.070004
N -6.205560 -1.462942 -0.921074
C 0.871938 1.279625 1.546617
C 2.480819 1.165947 -0.434156
C 2.441309 -0.706398 1.142749
C 1.763568 2.089151 0.568309
C 1.707785 0.152335 2.195938
C 4.133843 -0.658508 -0.659459
C 5.418456 0.090729 -1.076958
C 6.478834 0.185182 0.048573
C 7.396276 -1.038011 -0.216185
C 7.410397 -1.096971 -1.756192
C -1.469239 1.434174 0.661729
C -2.623441 0.651785 0.087092
C -3.539162 1.145976 -0.918306
C -2.937404 -0.579014 0.688352
C -4.101749 -1.316746 0.372200
C -4.711931 0.427729 -1.219102
C -5.047099 -0.802942 -0.593619
C -2.124846 3.015193 -1.829717
H 0.478443 1.964177 2.319566
H 1.723374 0.681246 -1.106963
H 3.144849 1.765664 -1.081063
H 3.084196 -1.445085 1.655080
H 1.696728 -1.301173 0.542139
H 2.520674 2.639033 1.158611
H 1.144112 2.833460 0.035982
H 2.465473 0.622374 2.849034
H 1.064720 -0.489033 2.828011
H 3.583568 -0.951032 -1.585950
H 4.429140 -1.597037 -0.152857
H 5.166334 1.087675 -1.485372
H 5.999091 0.176215 1.041646
H 7.059888 1.120857 -0.045099
H 8.405033 -0.916357 0.214007
H 6.950351 -1.959450 0.200759
H 7.598203 -2.102689 -2.168881
H 8.152750 -0.385510 -2.174826
H -0.250829 -0.245074 0.493635
H -2.299205 -0.985696 1.478445
H -5.366537 0.840686 -1.992901
H -6.393816 -2.353210 -0.445529
H -6.850566 -1.063444 -1.598577
H -1.945592 3.644328 -0.944698
H -1.282493 2.310840 -1.965784
H -2.257437 3.621340 -2.738462


