%chk=000180620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180620

0 1
O 1.819101 -0.838879 1.973943
O 3.489242 -1.841698 -0.829981
O -1.985544 -2.918180 -1.566696
O -3.082230 -0.431154 -2.208298
N -0.358630 1.209977 0.017883
C 0.216344 -0.176260 0.201335
C 1.026123 -0.615702 -1.030479
C -0.920977 -1.167079 0.553309
C 1.160216 0.025193 1.457127
C 0.124750 2.100171 0.974975
C 1.032761 1.432832 1.853473
C -1.310556 1.580212 -1.041347
C 2.295373 0.150468 -1.262428
C -0.564460 -2.617894 0.411326
C -0.150417 3.470480 1.132856
C 1.656735 2.129234 2.884326
C -2.752193 1.407374 -0.631101
C 0.489156 4.140775 2.175795
C 3.545910 -0.501817 -1.128426
C -1.113313 -3.404625 -0.624273
C 1.377942 3.489372 3.046614
C 2.314969 1.496452 -1.636540
C 0.307511 -3.252645 1.307916
C -3.564557 0.436761 -1.245492
C -3.332880 2.196950 0.370960
C 4.764992 0.161267 -1.317364
C -0.794303 -4.763580 -0.785323
C 3.524029 2.175986 -1.837594
C 0.630597 -4.603800 1.166061
C 4.741486 1.513199 -1.671260
C 0.084908 -5.355462 0.118020
C -4.908588 0.241985 -0.897699
C -4.669970 2.020142 0.733877
C -5.454508 1.046148 0.101614
H 0.392557 -0.585461 -1.938182
H 1.281974 -1.702461 -0.899118
H -1.812494 -0.948253 -0.077279
H -1.265003 -0.969919 1.593330
H -1.089334 0.966088 -1.953358
H -1.133838 2.644537 -1.337563
H -0.825789 3.993363 0.467119
H 2.351461 1.610851 3.547845
H 0.293462 5.205673 2.319410
H 1.853745 4.048772 3.847082
H 1.377552 2.034580 -1.767989
H 0.759307 -2.673889 2.120966
H -2.728489 2.950250 0.881012
H 5.707627 -0.361243 -1.193199
H -1.239583 -5.321426 -1.605423
H 3.510273 3.226114 -2.118970
H 1.314255 -5.070782 1.871052
H 5.679630 2.047031 -1.820004
H 0.345333 -6.407658 0.009189
H -5.492618 -0.523984 -1.405843
H -5.104781 2.640334 1.516115
H 4.380384 -2.217136 -0.625195
H -2.353326 -2.014627 -1.325379
H -6.497698 0.914535 0.391845
H -2.211424 -0.121991 -2.586272


%chk=000180620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180620

0 1
O 2.176566 -0.802444 2.229125
O 0.680628 0.023984 -3.323188
O -1.238049 -3.173414 -1.233846
O -1.690780 -0.718939 -2.294066
N -0.122824 1.242994 0.360297
C 0.429479 -0.135670 0.561354
C 1.247100 -0.758416 -0.608544
C -0.775274 -1.100465 0.970800
C 1.333901 0.052074 1.828502
C 0.150038 2.039589 1.467769
C 1.004369 1.358837 2.396214
C -0.808142 1.737923 -0.847883
C 2.160715 0.171311 -1.388124
C -0.467150 -2.584514 1.086074
C -0.271513 3.368244 1.748836
C 1.449386 1.978950 3.584082
C -2.273986 1.339510 -1.028553
C 0.178658 3.971190 2.941006
C 1.898195 0.509808 -2.739710
C -0.725071 -3.507104 0.022267
C 1.029840 3.294290 3.862636
C 3.359297 0.680122 -0.823754
C 0.033252 -3.109602 2.308176
C -2.645487 0.177842 -1.761356
C -3.313054 2.131981 -0.479568
C 2.771525 1.308271 -3.507964
C -0.472103 -4.891726 0.201129
C 4.246827 1.486524 -1.568414
C 0.290049 -4.483030 2.486740
C 3.956585 1.797341 -2.916763
C 0.034688 -5.378064 1.420169
C -3.999383 -0.191937 -1.916338
C -4.671080 1.776808 -0.627416
C -5.012361 0.606800 -1.346352
H 0.582484 -1.295884 -1.300293
H 1.864375 -1.532868 -0.112446
H -1.575325 -0.925858 0.233733
H -1.166538 -0.727018 1.935437
H -0.218175 1.433861 -1.726687
H -0.743855 2.839627 -0.818208
H -0.931930 3.921839 1.074400
H 2.110773 1.429988 4.262923
H -0.143227 4.994700 3.167501
H 1.349668 3.799352 4.779327
H 3.601165 0.412769 0.210776
H 0.232074 -2.414180 3.131404
H -3.047716 3.035191 0.083513
H 2.532013 1.551012 -4.551348
H -0.690197 -5.561156 -0.636772
H 5.165828 1.858720 -1.104452
H 0.680914 -4.850304 3.441162
H 4.643049 2.413877 -3.506367
H 0.223771 -6.451116 1.538883
H -4.232495 -1.100729 -2.479236
H -5.454339 2.402348 -0.187016
H 0.719213 0.045054 -4.309304
H -1.429244 -2.204511 -1.427535
H -6.062121 0.318285 -1.466391
H -0.822804 -0.312566 -2.618039


