%chk=000105213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105213

1 1
O 5.060899 -2.588061 1.004421
O 3.814292 2.420559 1.887788
O 5.682760 1.941455 0.708376
N 3.863069 -0.393653 -0.118759
N 3.697457 0.788610 -2.163728
C 5.205105 -0.575141 -0.859241
C 3.069180 0.596891 -1.072668
C 3.108013 -1.718409 -0.043023
C 4.063154 0.184422 1.263322
C 4.993805 0.093610 -2.235953
C 1.785428 1.174986 -0.600989
C 0.583875 0.247033 -0.833929
C 3.629312 -2.690922 1.024166
C -0.713171 0.891594 -0.327940
C -1.916920 -0.033803 -0.552717
C 4.655187 1.586424 1.221000
C -3.213330 0.608128 -0.039149
C -4.419567 -0.314107 -0.262616
C -5.715171 0.326831 0.253402
C -6.922638 -0.593832 0.030278
C -8.217654 0.047130 0.546816
C -9.427171 -0.872059 0.324225
C -10.718190 -0.238495 0.836516
H 6.037146 -0.082487 -0.297640
H 5.480841 -1.652582 -0.922548
H 3.157438 -2.197131 -1.053230
H 2.014597 -1.507895 0.144098
H 3.096549 0.190004 1.831222
H 4.765039 -0.474641 1.856558
H 4.992543 -0.630058 -3.084873
H 5.795185 0.839638 -2.473187
H 1.609388 2.135799 -1.158771
H 1.842216 1.490858 0.465475
H 0.739607 -0.728662 -0.322361
H 0.486322 0.019340 -1.916903
H 3.287193 -2.427308 2.045347
H 3.305118 -3.726123 0.794314
H -0.629942 1.142155 0.747622
H -0.888139 1.856331 -0.847466
H -1.757465 -1.004561 -0.045916
H -2.022283 -0.267183 -1.631049
H -3.120960 0.847823 1.037897
H -3.386132 1.576477 -0.549130
H -4.256116 -1.284940 0.243526
H -4.523563 -0.548675 -1.340055
H -5.619175 0.563424 1.330732
H -5.886310 1.296532 -0.253518
H 5.477732 -3.435659 1.292783
H -6.757612 -1.564605 0.536152
H -7.025316 -0.828574 -1.046988
H -8.388759 1.017329 0.041626
H -8.121563 0.283212 1.624036
H 4.170914 3.361647 1.976008
H -9.261975 -1.843141 0.830741
H -9.529568 -1.106706 -0.753564
H -10.935974 0.707382 0.327316
H -10.668954 -0.028036 1.910939
H -11.576343 -0.900975 0.673211


%chk=000105213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105213

1 1
O 6.769849 -1.623523 0.946841
O 4.521961 2.907893 1.617619
O 3.901314 2.389010 -0.570629
N 4.314592 -0.422480 -0.025126
N 2.960662 -0.529321 -2.017166
C 5.258285 -0.292341 -1.242033
C 2.849504 -0.327516 -0.762015
C 4.387541 -1.847522 0.576445
C 4.557217 0.620520 1.044622
C 4.368718 -0.699031 -2.451918
C 1.638942 -0.077824 0.083513
C 0.313569 -0.327215 -0.682641
C 5.527715 -2.078407 1.575006
C -0.920832 -0.011134 0.189583
C -2.249829 -0.256043 -0.561191
C 4.280811 2.046166 0.566945
C -3.497320 0.070609 0.290258
C -4.824657 -0.173343 -0.462650
C -6.075852 0.156405 0.382133
C -7.402135 -0.085323 -0.373489
C -8.655579 0.244687 0.467886
C -9.980956 0.005276 -0.291006
C -11.228795 0.334376 0.556341
H 5.551119 0.763442 -1.319238
H 6.138751 -0.925303 -1.071427
H 4.481290 -2.530223 -0.283477
H 3.426104 -2.045625 1.080433
H 3.911839 0.406997 1.913804
H 5.609675 0.541791 1.368545
H 4.516160 -1.746099 -2.772897
H 4.556283 -0.056730 -3.327129
H 1.657907 0.976122 0.429986
H 1.663106 -0.705013 0.999063
H 0.279687 -1.379695 -1.023279
H 0.304172 0.297130 -1.594734
H 5.348465 -1.544211 2.529842
H 5.543884 -3.165276 1.792372
H -0.903389 -0.632062 1.110094
H -0.881839 1.047368 0.521913
H -2.297808 -1.315037 -0.889381
H -2.267203 0.358033 -1.485128
H -3.484322 -0.542602 1.215641
H -3.453000 1.130452 0.617465
H -4.872767 -1.233377 -0.788736
H -4.838420 0.437756 -1.389232
H -6.066290 -0.455433 1.308521
H -6.029828 1.216341 0.709179
H 7.560911 -1.948530 1.443705
H -7.450146 -1.145185 -0.700680
H -7.412770 0.526202 -1.300067
H -8.610280 1.304191 0.796724
H -8.649998 -0.368083 1.393793
H 4.366943 3.858170 1.360933
H -10.025481 -1.052697 -0.621371
H -9.987613 0.619365 -1.214736
H -11.224279 1.393871 0.875169
H -11.265027 -0.289824 1.469162
H -12.161159 0.157056 -0.010159


