%chk=000004613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004613

1 1
O -0.136106 -0.515810 0.064072
O 1.389989 -0.610852 1.859633
N -3.162702 -0.719695 0.038291
C -2.226380 -1.105793 1.213934
C 1.281398 -0.167818 0.444401
C 2.239135 -0.988354 -0.445132
C -0.911386 -0.332828 1.301699
C -4.583379 -1.233373 0.391778
C -3.211128 0.819138 -0.140254
C -5.644335 -0.818587 -0.637815
C -4.283514 1.270613 -1.146562
C 3.720889 -0.676659 -0.093836
C 1.966677 -2.511885 -0.357709
C 0.045589 -0.894882 2.387773
C -5.684485 0.717688 -0.802416
C -2.655740 -1.394943 -1.238921
C 4.686088 -1.478051 -0.998846
C 2.935153 -3.308196 -1.265319
C 4.410769 -2.997597 -0.924065
C 1.451058 1.351680 0.353965
C 1.118780 2.018043 -0.857781
C 1.951503 2.104213 1.448200
C 1.278339 3.423545 -0.969639
C 2.111592 3.511563 1.334841
C 1.774697 4.173686 0.128722
H -2.799007 -0.939764 2.143730
H -2.027916 -2.186187 1.105113
H 2.060164 -0.653462 -1.489935
H -1.079012 0.747726 1.483372
H -4.826006 -0.797300 1.377951
H -4.504563 -2.329199 0.498670
H -2.201983 1.133127 -0.452880
H -3.424378 1.231379 0.863043
H -5.472182 -1.316361 -1.609801
H -6.617470 -1.193388 -0.271064
H -4.291401 2.375986 -1.128927
H -3.996669 0.987370 -2.176582
H 3.897297 -0.943189 0.967136
H 3.920149 0.406195 -0.196104
H 0.918277 -2.728396 -0.639187
H 2.102937 -2.832598 0.694254
H -0.066366 -0.392904 3.364033
H -0.071554 -1.990114 2.510591
H -6.403665 0.995983 -1.591527
H -6.048439 1.180230 0.136619
H -3.252186 -1.057068 -2.095389
H -1.596430 -1.129359 -1.363311
H -2.760421 -2.485090 -1.121783
H 5.730830 -1.262582 -0.706088
H 4.572968 -1.137869 -2.049158
H 2.743931 -3.049421 -2.327649
H 2.736667 -4.392098 -1.161072
H 5.084625 -3.542093 -1.611983
H 4.634134 -3.361299 0.099685
H 0.743456 1.441246 -1.711667
H 2.224016 1.582622 2.370741
H 1.028253 3.929711 -1.908566
H 2.505640 4.084067 2.181400
H 1.905305 5.257555 0.040222


%chk=000004613-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000004613

1 1
O -0.182104 -0.056702 0.019420
O 1.207977 -0.583927 1.804718
N -3.129383 -0.781159 0.026245
C -2.176710 -0.808835 1.252648
C 1.263245 0.027600 0.469427
C 2.124227 -0.844827 -0.467886
C -0.999321 0.174007 1.223391
C -4.463097 -1.443276 0.461233
C -3.410416 0.677677 -0.411890
C -5.548548 -1.377686 -0.623133
C -4.510858 0.780923 -1.481890
C 3.623940 -0.801448 -0.059507
C 1.630505 -2.312471 -0.548330
C -0.022740 -0.078183 2.430309
C -5.819246 0.083117 -1.049377
C -2.491465 -1.573208 -1.117028
C 4.489855 -1.633563 -1.034591
C 2.496508 -3.138322 -1.530228
C 3.991847 -3.092774 -1.139974
C 1.670777 1.502804 0.535637
C 1.297409 2.386406 -0.507742
C 2.462050 1.984085 1.607698
C 1.707374 3.737513 -0.476636
C 2.867444 3.336843 1.639971
C 2.491912 4.216637 0.598764
H -2.801043 -0.587188 2.136980
H -1.800256 -1.843847 1.326923
H 2.035475 -0.382979 -1.475142
H -1.348028 1.223931 1.241518
H -4.795848 -0.892421 1.359718
H -4.219625 -2.479934 0.751845
H -2.454042 1.088588 -0.773555
H -3.711334 1.214880 0.506271
H -5.277873 -2.000120 -1.495711
H -6.462142 -1.830893 -0.196654
H -4.688959 1.858378 -1.654385
H -4.155125 0.375447 -2.447450
H 3.725355 -1.206573 0.967220
H 3.985336 0.242774 -0.036284
H 0.569814 -2.340531 -0.863411
H 1.684137 -2.761414 0.462351
H 0.165911 0.864723 2.973614
H -0.363275 -0.856474 3.133913
H -6.550066 0.107857 -1.875657
H -6.276183 0.636085 -0.204647
H -3.116290 -1.493314 -2.015511
H -1.487418 -1.161266 -1.289881
H -2.416633 -2.628225 -0.809910
H 5.544460 -1.610962 -0.701679
H 4.463258 -1.164117 -2.039825
H 2.375123 -2.736050 -2.557818
H 2.138631 -4.185601 -1.553180
H 4.596337 -3.650344 -1.879866
H 4.131266 -3.600436 -0.163603
H 0.690679 2.013423 -1.340779
H 2.763798 1.293814 2.403066
H 1.421667 4.414703 -1.288898
H 3.481056 3.701451 2.470636
H 2.812155 5.263706 0.621443


