%chk=000184819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184819

0 1
O 1.454379 -0.414566 -0.832731
O 4.219816 1.046640 -0.942497
O 0.148907 -1.370603 2.611677
N 1.167439 3.069327 -0.561857
C 2.916954 1.529318 -1.279816
C 2.259289 2.192195 -0.049695
C 2.050679 0.406184 -1.873895
C -0.015984 3.101309 0.351758
C -0.890747 -1.295438 0.459052
C -1.772571 -0.131859 0.925718
C -1.089404 4.024043 -0.248083
C 1.532107 -2.050403 0.830163
C 2.155172 -1.466070 -0.294263
C 0.255839 -1.536568 1.414696
C -3.015232 -0.027235 0.086173
C 2.174276 -3.129833 1.453341
C 3.379054 -1.942819 -0.787103
C -2.385132 3.954137 0.553269
C 3.381982 -3.628589 0.960298
C -2.999850 0.711812 -1.107164
C -4.196278 -0.670043 0.487170
C 3.979086 -3.033175 -0.157009
C -4.155213 0.807769 -1.886712
C -5.349154 -0.570546 -0.296290
C -5.331939 0.168088 -1.483618
H 3.148525 2.280637 -2.075563
H 1.857050 1.402548 0.625345
H 3.033666 2.737412 0.530051
H 2.605705 -0.215786 -2.593533
H 1.134131 0.829174 -2.339796
H 1.528080 4.020270 -0.697207
H -0.419285 2.056238 0.437004
H 0.236468 3.425450 1.383646
H -0.529062 -1.102165 -0.575290
H -1.488155 -2.229972 0.387331
H -1.186694 0.821249 0.872916
H -2.023724 -0.260294 2.001397
H -0.721836 5.067860 -0.282561
H -1.280268 3.737168 -1.302760
H 1.716945 -3.576030 2.341249
H 4.188206 0.417844 -0.189749
H 3.852709 -1.474593 -1.649113
H -3.136546 4.642671 0.149161
H -2.231994 4.219261 1.605329
H -2.825685 2.948120 0.527539
H -2.085517 1.211087 -1.426276
H -4.215232 -1.247116 1.409804
H 3.861368 -4.473643 1.449396
H 4.925759 -3.420272 -0.538014
H -4.138723 1.382678 -2.811001
H -6.263383 -1.070099 0.019834
H -6.230383 0.244730 -2.091519


%chk=000184819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184819

0 1
O 1.493591 -0.623128 -0.328596
O 3.858104 1.209901 -0.341110
O -0.118002 -3.320712 2.295299
N 0.557515 2.995728 -0.760088
C 2.565630 1.529797 -0.970504
C 1.698167 2.396902 -0.030453
C 1.839214 0.266698 -1.464414
C -0.395737 3.733196 0.110288
C -0.897463 -2.094088 0.365334
C -1.487703 -0.816115 1.042542
C -1.442927 4.491220 -0.727336
C 1.628072 -2.778474 0.740274
C 2.250244 -1.783332 -0.073925
C 0.199160 -2.737071 1.213647
C -2.673351 -0.277520 0.257102
C 2.402465 -3.903912 1.134433
C 3.586845 -1.948064 -0.518185
C -2.463818 5.243204 0.152905
C 3.726365 -4.079868 0.691132
C -2.496173 0.713365 -0.743975
C -3.977013 -0.794725 0.476600
C 4.311264 -3.100076 -0.145465
C -3.594839 1.168284 -1.509323
C -5.076768 -0.339251 -0.284409
C -4.888463 0.643472 -1.284638
H 2.847821 2.125795 -1.860513
H 1.293437 1.761284 0.781828
H 2.368561 3.153526 0.441985
H 2.444012 -0.278829 -2.210568
H 0.869945 0.561601 -1.902401
H 0.894329 3.612867 -1.516066
H -0.907605 2.998828 0.763039
H 0.126493 4.457933 0.783796
H -0.538836 -1.843552 -0.644628
H -1.707513 -2.844420 0.281175
H -0.687998 -0.056261 1.105898
H -1.787672 -1.086264 2.072150
H -0.924679 5.211861 -1.394874
H -1.967241 3.768812 -1.380492
H 1.920158 -4.638733 1.787534
H 3.688422 0.698109 0.492104
H 4.075099 -1.166905 -1.107713
H -3.189393 5.800991 -0.465842
H -1.959978 5.967982 0.819960
H -3.033164 4.537573 0.785495
H -1.497003 1.135237 -0.921636
H -4.128130 -1.556333 1.252235
H 4.296850 -4.964507 0.991101
H 5.343855 -3.216842 -0.493041
H -3.442054 1.931919 -2.281533
H -6.077084 -0.747055 -0.098240
H -5.739412 0.997454 -1.877686


