%chk=000219567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219567

0 1
O -0.608965 -0.205459 1.504864
O 4.392321 -1.662394 1.022765
O 2.776247 -0.158616 1.480790
N 1.041874 0.414543 -0.569965
N -2.897487 -1.667859 2.161855
C -0.208436 1.047082 -1.058407
C -1.450749 0.271427 -0.651506
C -0.272409 2.479244 -0.544226
C -1.609627 -0.332354 0.588163
C -2.513648 0.166106 -1.595023
C 1.732355 -0.546819 -1.281523
C -2.808824 -1.072447 0.909101
C -3.843180 -1.162345 -0.058037
C -3.671555 -0.521316 -1.318937
C -0.296402 2.763125 0.827718
C -0.307641 3.530434 -1.472461
C 2.868542 -1.193226 -0.702843
C 1.370455 -0.878843 -2.624846
C -5.016863 -1.904650 0.300052
C -0.356675 4.088453 1.267131
C -0.372068 4.854063 -1.028483
C 3.604700 -2.116009 -1.479882
C -0.396385 5.135519 0.341225
C 2.115263 -1.787977 -3.347608
C -5.098078 -2.489422 1.536666
C 3.244655 -2.415824 -2.781727
C 3.283574 -0.916578 0.669615
C -4.000949 -2.346480 2.453496
C 4.947480 -1.457487 2.359428
C 5.777971 -0.190505 2.380781
H -0.166412 1.067729 -2.189233
H 1.242740 0.535238 0.443641
H -2.392128 0.655417 -2.563999
H -4.469934 -0.586465 -2.055402
H -0.267563 1.948131 1.556745
H -0.279575 3.323369 -2.540391
H 0.498762 -0.407495 -3.072422
H -5.826869 -1.989636 -0.424670
H -0.371244 4.303634 2.334507
H -0.399580 5.667221 -1.751555
H 4.477249 -2.596877 -1.023821
H -0.443734 6.166722 0.685341
H 1.830643 -2.031543 -4.372850
H -0.796625 -0.730282 2.343615
H -5.971713 -3.060524 1.844461
H 3.818597 -3.126796 -3.366983
H -4.055939 -2.811595 3.445974
H 4.117262 -1.432699 3.087786
H 5.549308 -2.376786 2.475556
H 6.330977 -0.086482 3.320454
H 6.502316 -0.170388 1.556658
H 5.139165 0.699424 2.269714


%chk=000219567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219567

0 1
O -0.817485 -0.440869 1.534974
O 4.622722 -1.429358 1.050985
O 3.080769 0.299360 1.289730
N 1.097412 0.439514 -0.507144
N -3.072237 -1.784578 1.807106
C -0.120102 1.120077 -0.965215
C -1.416170 0.316624 -0.726100
C -0.204801 2.519110 -0.336415
C -1.685745 -0.392640 0.454818
C -2.418360 0.301711 -1.752070
C 1.627339 -0.696651 -1.079418
C -2.922841 -1.116878 0.603278
C -3.912035 -1.117500 -0.440131
C -3.632977 -0.380745 -1.634393
C -0.173674 2.692157 1.072255
C -0.326680 3.658631 -1.167681
C 2.830109 -1.301797 -0.539451
C 1.032407 -1.310493 -2.231160
C -5.106895 -1.866956 -0.186605
C -0.261269 3.985855 1.630211
C -0.421597 4.953227 -0.608091
C 3.380570 -2.455562 -1.164952
C -0.388028 5.120541 0.794711
C 1.604211 -2.445506 -2.823481
C -5.255232 -2.543780 1.028999
C 2.787363 -3.031141 -2.298470
C 3.479510 -0.726702 0.649819
C -4.209542 -2.477266 2.005320
C 5.347232 -0.891054 2.238570
C 6.327940 0.212601 1.829984
H -0.047946 1.263562 -2.064298
H 1.570545 0.769212 0.348891
H -2.208208 0.862242 -2.672475
H -4.366699 -0.360712 -2.447419
H -0.091099 1.815863 1.724424
H -0.339944 3.535291 -2.257954
H 0.107809 -0.901617 -2.646531
H -5.894515 -1.902492 -0.947980
H -0.232117 4.108588 2.718776
H -0.513743 5.826252 -1.264043
H 4.288033 -2.884660 -0.731642
H -0.457189 6.123053 1.231846
H 1.120757 -2.887897 -3.702697
H -1.280033 -1.035980 2.209933
H -6.157104 -3.123016 1.248569
H 3.224715 -3.918336 -2.766527
H -4.308293 -2.999803 2.963048
H 4.605719 -0.515756 2.965405
H 5.866403 -1.774403 2.644891
H 6.919250 0.530589 2.709188
H 7.026964 -0.148246 1.055574
H 5.785979 1.091035 1.442341


