%chk=000183438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183438

0 1
O 1.126897 -0.972151 -2.237983
O -2.196310 -3.298637 -0.203485
O -3.447294 -1.800396 1.993826
O 4.869118 -0.026562 0.575521
O 3.921843 -1.124709 -1.657547
N -1.705904 2.925098 -0.939160
C -0.742600 0.123293 -0.592904
C -1.566626 2.368882 0.442240
C -1.670054 0.851463 0.377004
C -1.000413 0.804751 -1.969524
C -0.740035 2.313248 -1.905841
C 0.741301 0.187739 -0.218812
C -0.287512 2.771730 1.217484
C 0.395724 1.585035 1.905212
C 1.245637 0.805465 0.934665
C -1.113042 -1.340441 -0.706086
C -2.577311 0.220502 1.141732
C 1.677079 -0.449457 -1.094463
C -1.615114 4.413533 -0.952491
C -2.009305 -1.962439 0.080286
C -2.754796 -1.241192 1.166876
C 2.620746 0.756985 1.252606
C 3.047243 -0.496858 -0.786971
C 3.506196 0.106240 0.406757
C 1.965530 -1.757544 -3.128742
C -3.117226 -4.052585 0.626531
C 5.440277 0.461298 1.814658
H -2.455157 2.769639 1.008154
H -2.049064 0.611892 -2.276293
H -0.365371 0.344848 -2.753913
H 0.323778 2.509493 -1.648991
H -0.923086 2.765035 -2.905157
H -0.548556 3.536282 1.972831
H 0.436537 3.262928 0.536479
H -0.340357 0.915076 2.399800
H 1.013885 1.965580 2.746135
H -0.590603 -1.901532 -1.488518
H -3.257485 0.759623 1.804881
H -2.341238 4.832446 -0.237599
H -1.910593 4.770311 -1.953854
H -0.621758 4.824076 -0.719598
H 2.974464 1.235945 2.160243
H 4.838033 -1.135820 -1.261951
H 2.748656 -1.122321 -3.557257
H 1.240231 -2.082110 -3.882735
H 2.400322 -2.605129 -2.588930
H -3.050005 -5.048978 0.176320
H -4.126814 -3.638097 0.549535
H -2.779555 -4.050983 1.668063
H 4.995099 -0.059231 2.667935
H 5.313881 1.545696 1.884499
H 6.497808 0.192543 1.693632


%chk=000183438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183438

0 1
O 1.271897 -0.983751 -2.305790
O -2.074687 -3.411371 -0.012735
O -3.567618 -1.856992 1.990883
O 5.053780 0.178074 0.402105
O 4.063767 -0.896704 -1.805853
N -1.668277 2.941660 -0.819188
C -0.706598 0.110688 -0.525050
C -1.531031 2.356941 0.543094
C -1.626297 0.838130 0.455172
C -1.006917 0.823026 -1.913260
C -0.770202 2.339733 -1.825119
C 0.830354 0.207605 -0.202043
C -0.246192 2.796770 1.350118
C 0.519985 1.606627 1.980946
C 1.362153 0.843891 0.961080
C -1.063372 -1.361509 -0.634299
C -2.574296 0.175884 1.183961
C 1.759626 -0.408885 -1.114783
C -1.720564 4.411750 -0.841044
C -1.981062 -2.018636 0.140176
C -2.767642 -1.286594 1.172910
C 2.762263 0.839106 1.205634
C 3.152683 -0.369735 -0.876023
C 3.646688 0.237508 0.302553
C 1.746335 -2.340565 -2.673719
C -3.419685 -4.032323 0.015654
C 5.676802 0.786270 1.578720
H -2.413870 2.706566 1.112437
H -2.066354 0.637335 -2.169488
H -0.367020 0.374834 -2.688521
H 0.312052 2.538773 -1.618428
H -1.000425 2.799601 -2.804923
H -0.552437 3.495497 2.151563
H 0.445692 3.352753 0.688236
H -0.193677 0.938052 2.497290
H 1.196690 1.996876 2.763517
H -0.524918 -1.939253 -1.387733
H -3.254022 0.724870 1.847974
H -2.483505 4.765495 -0.122707
H -2.019243 4.752098 -1.849542
H -0.754564 4.914505 -0.587969
H 3.137908 1.326704 2.110013
H 4.977817 -0.748621 -1.441069
H 2.815865 -2.322138 -2.930089
H 1.135614 -2.620345 -3.546019
H 1.566254 -3.048554 -1.842108
H -3.232232 -5.103992 -0.152729
H -4.047630 -3.628886 -0.802337
H -3.908314 -3.860553 0.987003
H 5.320090 0.301341 2.507039
H 5.468360 1.872395 1.619060
H 6.757076 0.617551 1.460534


