%chk=000183481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183481

0 1
O -0.915691 2.750839 0.835713
O 0.383543 3.363649 -0.919376
O -2.580283 -1.652199 -1.033286
O 2.538102 -3.953507 -0.157079
O 3.033812 -3.114854 -2.086694
N 2.664691 -3.012797 -0.928594
C 1.356757 2.245925 1.060177
C 2.603097 3.181510 1.116929
C 1.707176 0.874641 0.531285
C 2.199376 4.570284 1.618068
C 3.678722 2.570534 2.017029
C 0.287605 2.854732 0.168820
C 2.073347 0.700439 -0.814377
C 1.663754 -0.230824 1.396736
C 2.393616 -0.566328 -1.296441
C 1.979820 -1.503269 0.924368
C 2.344687 -1.664485 -0.421707
C -2.122369 3.177285 0.140179
C -2.767867 2.020468 -0.574589
C -2.325873 0.708331 -0.371340
C -3.836900 2.286323 -1.443213
C -2.975627 -0.319148 -1.062556
C -4.466568 1.235364 -2.120718
C -4.047664 -0.081619 -1.938718
C -1.934920 -2.179246 0.088411
C -2.270173 -1.838473 1.402540
C -0.992039 -3.170923 -0.221800
C -1.631107 -2.525248 2.439559
C -0.371911 -3.840166 0.833325
C -0.685801 -3.517243 2.160427
H 0.937897 2.158226 2.100815
H 3.009703 3.279515 0.077531
H 3.077233 5.221065 1.718913
H 1.713369 4.534675 2.599111
H 1.515180 5.072885 0.922917
H 3.333503 2.447965 3.049526
H 4.570774 3.208489 2.050071
H 4.002408 1.586195 1.657632
H 2.090894 1.561954 -1.490517
H 1.375304 -0.101714 2.440462
H 2.676618 -0.715770 -2.344690
H 1.936578 -2.376257 1.586187
H -2.748607 3.545653 0.977404
H -1.871183 4.006908 -0.551628
H -1.490821 0.504228 0.297685
H -4.176910 3.306829 -1.602104
H -5.294593 1.448619 -2.798081
H -4.519788 -0.913373 -2.457064
H -3.017749 -1.077350 1.611326
H -0.773892 -3.409813 -1.260804
H -1.880103 -2.286372 3.473357
H 0.374554 -4.611349 0.619235
H -0.199184 -4.050106 2.974538


%chk=000183481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183481

0 1
O -0.904612 2.602268 1.264520
O 0.129150 3.571816 -0.589720
O -2.461142 -1.755964 -1.216805
O 2.640631 -3.886018 0.137680
O 2.600464 -3.135077 -2.014759
N 2.524671 -2.941491 -0.738982
C 1.493990 2.462508 1.169798
C 2.680155 3.451024 0.912433
C 1.769215 1.042744 0.663866
C 2.355625 4.851181 1.484723
C 3.994262 2.907730 1.517978
C 0.207395 2.959539 0.497731
C 1.909149 0.784907 -0.726916
C 1.888118 -0.033228 1.580495
C 2.163579 -0.517107 -1.194612
C 2.145003 -1.342556 1.132646
C 2.278067 -1.565997 -0.254737
C -2.245663 2.912952 0.675092
C -2.659449 1.910658 -0.387826
C -2.352078 0.536135 -0.237362
C -3.392217 2.354300 -1.513803
C -2.789611 -0.380844 -1.219607
C -3.831061 1.421584 -2.481842
C -3.534446 0.051480 -2.341322
C -2.081098 -2.436410 -0.028997
C -2.781326 -2.286491 1.190630
C -1.029398 -3.368339 -0.158882
C -2.398271 -3.075026 2.298670
C -0.657176 -4.151116 0.956657
C -1.336684 -4.004563 2.189048
H 1.299865 2.413848 2.257347
H 2.799909 3.544231 -0.185236
H 3.194747 5.545333 1.296992
H 2.198310 4.803683 2.579855
H 1.453290 5.285072 1.019507
H 3.902754 2.779765 2.614174
H 4.819879 3.618437 1.332903
H 4.280896 1.934178 1.083246
H 1.797389 1.606114 -1.443261
H 1.771618 0.156667 2.652965
H 2.262462 -0.737370 -2.260655
H 2.229185 -2.184500 1.824294
H -2.905238 2.875419 1.558575
H -2.226678 3.936790 0.262717
H -1.760231 0.199097 0.619185
H -3.606042 3.421296 -1.642006
H -4.396130 1.765066 -3.354844
H -3.850759 -0.687399 -3.083262
H -3.615678 -1.582076 1.267264
H -0.528678 -3.474393 -1.126424
H -2.940052 -2.968624 3.245191
H 0.165869 -4.866429 0.858562
H -1.047432 -4.613709 3.052017


